V029-9571 Screening compound: 2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide

V029-9571 Screening compound: 2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide
V029-9571 Screening compound: 2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9571
2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide

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

V029-9571

Molecular Formula

C34H30FN3O2S (C34 H30 FN3 O2 S)

Compound Name

2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide

IUPAC name

2-(benzylsulfanyl)-N-{1-[(3-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}benzamide

SMILES

O=C(c1cc(cc(cc2)NC(c(cccc3)c3SCc3ccccc3)=O)c2n1Cc1cc(F)ccc1)N1CCCC1

InChI

InChI=1S/C34H30FN3O2S/c35-27-12-8-11-25(19-27)22-38-30-16-15-28(20-26(30)21-31(38)34(40)37-17-6-7-18-37)36-33(39)29-13-4-5-14-32(29)41-23-24-9-2-1-3-10-24/h1-5,8-16,19-21H,6-7,17-18,22-23H2,(H,36,39)

InChI Key

XMOMNOMYFCPZRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779666

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

563.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.777

Distribution Coefficient, logD

6.777

Water Solubility, LogSw

-6.41

Polar Surface Area

40.526

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V029-9571 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-9571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9571?
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What is the minimum amount of V029-9571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9571
  • 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 V029-9571 available by request