V003-3227 Screening compound: 4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

V003-3227 Screening compound: 4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate
V003-3227 Screening compound: 4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3227
4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

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

V003-3227

Molecular Formula

C21H25ClN2O5S (C21 H25 ClN2 O5 S)

Compound Name

4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

IUPAC name

4-chloro-2-{[(cyclopropylmethyl)[(2-methoxyphenyl)carbamoyl]amino]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc1)c(CN(CC2CC2)C(Nc(cccc2)c2OC)=O)cc1Cl)(=O)=O

InChI

InChI=1S/C21H25ClN2O5S/c1-3-30(26,27)29-19-11-10-17(22)12-16(19)14-24(13-15-8-9-15)21(25)23-18-6-4-5-7-20(18)28-2/h4-7,10-12,15H,3,8-9,13-14H2,1-2H3,(H,23,25)

InChI Key

JJEAGYLEBYDIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.76

Polar Surface Area

67.650

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V003-3227 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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 V003-3227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3227?
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What is the minimum amount of V003-3227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3227
  • 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 V003-3227 available by request