V029-1612 Screening compound: 5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

V029-1612 Screening compound: 5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
V029-1612 Screening compound: 5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1612
5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-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

V029-1612

Molecular Formula

C30H30ClN3O3 (C30 H30 ClN3 O3)

Compound Name

5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

IUPAC name

5-(2-chlorobenzamido)-N-[(2-methyloxolan-2-yl)methyl]-1-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide

SMILES

CC1(CNC(c2cc(cc(cc3)NC(c(cccc4)c4Cl)=O)c3n2Cc2cc(C)ccc2)=O)OCCC1

InChI

InChI=1S/C30H30ClN3O3/c1-20-7-5-8-21(15-20)18-34-26-12-11-23(33-28(35)24-9-3-4-10-25(24)31)16-22(26)17-27(34)29(36)32-19-30(2)13-6-14-37-30/h3-5,7-12,15-17H,6,13-14,18-19H2,1-2H3,(H,32,36)(H,33,35)/t30-/m1/s1

InChI Key

LXDZPWDCHCEFEO-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD19785440

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.405

Distribution Coefficient, logD

6.404

Water Solubility, LogSw

-6.11

Polar Surface Area

56.148

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

V029-1612 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1612?
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What is the minimum amount of V029-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1612
  • 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 V029-1612 available by request