4464-0973 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate

4464-0973 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate
4464-0973 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0973
methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4464-0973

Molecular Formula

C31H40N4O6 (C31 H40 N4 O6)

Compound Name

methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate

IUPAC name

methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido]-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(C(Cc1c[nH]c2c1cccc2)NC(C(Cc1ccccc1)NC(OC(C)(C)C)=O)=O)=O

InChI

InChI=1S/C31H40N4O6/c1-19(2)26(29(38)40-6)35-28(37)25(17-21-18-32-23-15-11-10-14-22(21)23)33-27(36)24(16-20-12-8-7-9-13-20)34-30(39)41-31(3,4)5/h7-15,18-19,24-26,32H,16-17H2,1-6H3,(H,33,36)(H,34,39)(H,35,37)

InChI Key

FQGDHIAFDYFGJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.69

Polar Surface Area

110.870

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.90

4464-0973 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4464-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0973?
Check Price and Availability of 4464-0973, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4464-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0973
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4464-0973 available by request