V031-2868 Screening compound: N-[(4-chlorophenyl)methyl]-2-[1-(2-fluorophenyl)-N-(3-methoxypropyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide

V031-2868 Screening compound: N-[(4-chlorophenyl)methyl]-2-[1-(2-fluorophenyl)-N-(3-methoxypropyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide
V031-2868 Screening compound: N-[(4-chlorophenyl)methyl]-2-[1-(2-fluorophenyl)-N-(3-methoxypropyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2868
N-[(4-chlorophenyl)methyl]-2-[1-(2-fluorophenyl)-N-(3-methoxypropyl)formamido]-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

V031-2868

Molecular Formula

C30H31ClFN3O3 (C30 H31 ClFN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(CC(N(CCc1c[nH]c2c1cccc2)Cc(cc1)ccc1Cl)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C30H31ClFN3O3/c1-38-18-6-16-35(30(37)26-8-2-4-9-27(26)32)21-29(36)34(20-22-11-13-24(31)14-12-22)17-15-23-19-33-28-10-5-3-7-25(23)28/h2-5,7-14,19,33H,6,15-18,20-21H2,1H3

InChI Key

JFRWWWHIPBQNRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19773494

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.05

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

4.776

Distribution Coefficient, logD

4.776

Water Solubility, LogSw

-4.96

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

26.70

V031-2868 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with V031-2868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2868?
Check Price and Availability of V031-2868, 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 V031-2868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2868
  • 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 V031-2868 available by request