V026-9545 Screening compound: 4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl ethane-1-sulfonate

V026-9545 Screening compound: 4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl ethane-1-sulfonate
V026-9545 Screening compound: 4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9545
4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)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

V026-9545

Molecular Formula

C20H23ClFNO4S (C20 H23 ClFNO4 S)

Compound Name

4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl ethane-1-sulfonate

IUPAC name

4-chloro-2-{[1-(2-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc1)c(CN(CC(C)C)C(c(cccc2)c2F)=O)cc1Cl)(=O)=O

InChI

InChI=1S/C20H23ClFNO4S/c1-4-28(25,26)27-19-10-9-16(21)11-15(19)13-23(12-14(2)3)20(24)17-7-5-6-8-18(17)22/h5-11,14H,4,12-13H2,1-3H3

InChI Key

VFFYQODRNSJSHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19797935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.92

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

4.541

Distribution Coefficient, logD

4.541

Water Solubility, LogSw

-4.73

Polar Surface Area

51.645

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V026-9545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9545?
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What is the minimum amount of V026-9545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9545
  • 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 V026-9545 available by request