V029-1961 Screening compound: 5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

V029-1961 Screening compound: 5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide
V029-1961 Screening compound: 5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1961
5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

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

V029-1961

Molecular Formula

C31H27FN4O2 (C31 H27 FN4 O2)

Compound Name

5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

IUPAC name

5-(4-fluorobenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

SMILES

Cc1cccc(Cn(c(C(NCCc2ncccc2)=O)c2)c(cc3)c2cc3NC(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C31H27FN4O2/c1-21-5-4-6-22(17-21)20-36-28-13-12-27(35-30(37)23-8-10-25(32)11-9-23)18-24(28)19-29(36)31(38)34-16-14-26-7-2-3-15-33-26/h2-13,15,17-19H,14,16,20H2,1H3,(H,34,38)(H,35,37)

InChI Key

KMSFHMZGHORFBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784719

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-5.34

Polar Surface Area

57.582

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V029-1961 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V029-1961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1961?
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What is the minimum amount of V029-1961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1961
  • 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 V029-1961 available by request