V029-9595 Screening compound: 1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

V029-9595 Screening compound: 1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
V029-9595 Screening compound: 1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9595
1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-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

V029-9595

Molecular Formula

C31H23F4N3O2 (C31 H23 F4 N3 O2)

Compound Name

1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

IUPAC name

1-benzyl-5-[2-(4-fluorophenyl)acetamido]-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide

SMILES

O=C(Cc(cc1)ccc1F)Nc(cc1)cc2c1n(Cc1ccccc1)c(C(Nc1ccc(C(F)(F)F)cc1)=O)c2

InChI

InChI=1S/C31H23F4N3O2/c32-24-10-6-20(7-11-24)16-29(39)36-26-14-15-27-22(17-26)18-28(38(27)19-21-4-2-1-3-5-21)30(40)37-25-12-8-23(9-13-25)31(33,34)35/h1-15,17-18H,16,19H2,(H,36,39)(H,37,40)

InChI Key

JZXJZLXZKMCGOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19789460

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.960

Distribution Coefficient, logD

6.960

Water Solubility, LogSw

-6.43

Polar Surface Area

46.661

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

V029-9595 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-9595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9595?
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What is the minimum amount of V029-9595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9595
  • 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 V029-9595 available by request