4464-0992 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-methylbutanoate

4464-0992 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-methylbutanoate
4464-0992 Screening compound: methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4464-0992
methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-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

4464-0992

Molecular Formula

C22H31N3O5 (C22 H31 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H31N3O5/c1-13(2)18(20(27)29-6)25-19(26)17(24-21(28)30-22(3,4)5)11-14-12-23-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,23H,11H2,1-6H3,(H,24,28)(H,25,26)

InChI Key

XWDOHABSDMDMQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.29

Polar Surface Area

86.826

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

4464-0992 in Drug Discovery

Included in Screening Libraries

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:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4464-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4464-0992?
Check Price and Availability of 4464-0992, 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 4464-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4464-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4464-0992
  • 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 4464-0992 available by request