V030-3459 Screening compound: 2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}phenyl ethane-1-sulfonate

V030-3459 Screening compound: 2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}phenyl ethane-1-sulfonate
V030-3459 Screening compound: 2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3459
2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]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

V030-3459

Molecular Formula

C20H22ClNO4S (C20 H22 ClNO4 S)

Compound Name

2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}phenyl ethane-1-sulfonate

IUPAC name

2-{[1-(2-chlorophenyl)-N-(cyclopropylmethyl)formamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc1c(CN(CC2CC2)C(c(cccc2)c2Cl)=O)cccc1)(=O)=O

InChI

InChI=1S/C20H22ClNO4S/c1-2-27(24,25)26-19-10-6-3-7-16(19)14-22(13-15-11-12-15)20(23)17-8-4-5-9-18(17)21/h3-10,15H,2,11-14H2,1H3

InChI Key

WVUYRFIHBKANRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.30

Polar Surface Area

51.896

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V030-3459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3459?
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What is the minimum amount of V030-3459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3459
  • 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 V030-3459 available by request