V002-5607 Screening compound: 2-{sec-butyl[(3,5-dimethoxyanilino)carbonyl]amino}-N~1~-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~1~-cyclohexylacetamide

V002-5607 Screening compound: 2-{sec-butyl[(3,5-dimethoxyanilino)carbonyl]amino}-N~1~-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~1~-cyclohexylacetamide
V002-5607 Screening compound: 2-{sec-butyl[(3,5-dimethoxyanilino)carbonyl]amino}-N~1~-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5607
2-{sec-butyl[(3,5-dimethoxyanilino)carbonyl]amino}-N~1~-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~1~-cyclohexylacetamide

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

V002-5607

Molecular Formula

C33H43ClN4O4 (C33 H43 ClN4 O4)

Compound Name

2-{sec-butyl[(3,5-dimethoxyanilino)carbonyl]amino}-N~1~-{[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N~1~-cyclohexylacetamide

IUPAC name

2-[(butan-2-yl)[(35-dimethoxyphenyl)carbamoyl]amino]-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cyclohexylacetamide

SMILES

CCC(C)N(CC(N(Cc1cccn1Cc(cccc1)c1Cl)C1CCCCC1)=O)C(Nc1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C33H43ClN4O4/c1-5-24(2)37(33(40)35-26-18-29(41-3)20-30(19-26)42-4)23-32(39)38(27-13-7-6-8-14-27)22-28-15-11-17-36(28)21-25-12-9-10-16-31(25)34/h9-12,15-20,24,27H,5-8,13-14,21-23H2,1-4H3,(H,35,40)/t24-/m0/s1

InChI Key

KCIGCPUNAZPHMR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19732136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.150

Distribution Coefficient, logD

7.150

Water Solubility, LogSw

-6.35

Polar Surface Area

56.685

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V002-5607 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V002-5607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5607?
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What is the minimum amount of V002-5607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5607
  • 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 V002-5607 available by request