1411-0030 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate

1411-0030 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate
1411-0030 Screening compound: methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1411-0030
methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate

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

1411-0030

Molecular Formula

C28H36N4O7 (C28 H36 N4 O7)

Compound Name

methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate

IUPAC name

methyl 2-[2-(2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanamido)-3-phenylpropanamido]-3-phenylpropanoate

SMILES

CC(C)(C)OC(NC(CC(N)=O)C(NC(Cc1ccccc1)C(NC(Cc1ccccc1)C(OC)=O)=O)=O)=O

InChI

InChI=1S/C28H36N4O7/c1-28(2,3)39-27(37)32-21(17-23(29)33)25(35)30-20(15-18-11-7-5-8-12-18)24(34)31-22(26(36)38-4)16-19-13-9-6-10-14-19/h5-14,20-22H,15-17H2,1-4H3,(H2,29,33)(H,30,35)(H,31,34)(H,32,37)

InChI Key

ARFLLJAVJWZYBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00309836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.35

Polar Surface Area

134.665

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.30

1411-0030 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1411-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1411-0030?
Check Price and Availability of 1411-0030, 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 1411-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1411-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1411-0030
  • 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 1411-0030 available by request