V029-9512 Screening compound: 5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-phenyl-1H-indole-2-carboxamide

V029-9512 Screening compound: 5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-phenyl-1H-indole-2-carboxamide
V029-9512 Screening compound: 5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-phenyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9512
5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-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

V029-9512

Molecular Formula

C36H28FN3O2S (C36 H28 FN3 O2 S)

Compound Name

5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-phenyl-1H-indole-2-carboxamide

IUPAC name

5-[2-(benzylsulfanyl)benzamido]-1-[(3-fluorophenyl)methyl]-N-phenyl-1H-indole-2-carboxamide

SMILES

O=C(c1cc(cc(cc2)NC(c(cccc3)c3SCc3ccccc3)=O)c2n1Cc1cc(F)ccc1)Nc1ccccc1

InChI

InChI=1S/C36H28FN3O2S/c37-28-13-9-12-26(20-28)23-40-32-19-18-30(21-27(32)22-33(40)36(42)38-29-14-5-2-6-15-29)39-35(41)31-16-7-8-17-34(31)43-24-25-10-3-1-4-11-25/h1-22H,23-24H2,(H,38,42)(H,39,41)

InChI Key

PSQVZTDAKXYJGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782262

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

585.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.613

Distribution Coefficient, logD

7.613

Water Solubility, LogSw

-6.44

Polar Surface Area

46.603

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

V029-9512 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V029-9512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9512?
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What is the minimum amount of V029-9512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9512
  • 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 V029-9512 available by request