V031-2873 Screening compound: 2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

V031-2873 Screening compound: 2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
V031-2873 Screening compound: 2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2873
2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

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

V031-2873

Molecular Formula

C30H31Cl2N3O3 (C30 H31 Cl2 N3 O3)

Compound Name

2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

IUPAC name

2-[1-(4-chlorophenyl)-N-(3-methoxypropyl)formamido]-N-[(4-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

SMILES

COCCCN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1Cl)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H31Cl2N3O3/c1-38-18-4-16-35(30(37)23-9-13-26(32)14-10-23)21-29(36)34(20-22-7-11-25(31)12-8-22)17-15-24-19-33-28-6-3-2-5-27(24)28/h2-3,5-14,19,33H,4,15-18,20-21H2,1H3

InChI Key

XMTOMYQCCZBHBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19773591

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.79

Polar Surface Area

50.303

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

V031-2873 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V031-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2873?
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What is the minimum amount of V031-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2873
  • 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 V031-2873 available by request