V029-6337 Screening compound: N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-3,4-dimethylbenzamide

V029-6337 Screening compound: N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-3,4-dimethylbenzamide
V029-6337 Screening compound: N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-6337
N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-3,4-dimethylbenzamide

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

V029-6337

Molecular Formula

C33H37N3O2 (C33 H37 N3 O2)

Compound Name

N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-3,4-dimethylbenzamide

IUPAC name

N-{1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl}-34-dimethylbenzamide

SMILES

CC(C)(C)c1ccc(Cn(c(C(N2CCCC2)=O)c2)c(cc3)c2cc3NC(c2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C33H37N3O2/c1-22-8-11-25(18-23(22)2)31(37)34-28-14-15-29-26(19-28)20-30(32(38)35-16-6-7-17-35)36(29)21-24-9-12-27(13-10-24)33(3,4)5/h8-15,18-20H,6-7,16-17,21H2,1-5H3,(H,34,37)

InChI Key

VJKHGPQGUWONAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779260

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.68

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.922

Distribution Coefficient, logD

7.922

Water Solubility, LogSw

-5.78

Polar Surface Area

40.798

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V029-6337 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 V029-6337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-6337?
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What is the minimum amount of V029-6337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-6337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-6337
  • 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 V029-6337 available by request