V013-0454 Screening compound: 5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide

V013-0454 Screening compound: 5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide
V013-0454 Screening compound: 5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-0454
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide

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

V013-0454

Molecular Formula

C20H16ClF2NO3S (C20 H16 ClF2 NO3 S)

Compound Name

5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide

IUPAC name

5-chloro-2-fluoro-N-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzene-1-sulfonamide

SMILES

COc1cccc(CN(c(cc2)ccc2F)S(c(cc(cc2)Cl)c2F)(=O)=O)c1

InChI

InChI=1S/C20H16ClF2NO3S/c1-27-18-4-2-3-14(11-18)13-24(17-8-6-16(22)7-9-17)28(25,26)20-12-15(21)5-10-19(20)23/h2-12H,13H2,1H3

InChI Key

HPDPSADCIHPWIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19878621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.112

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-5.52

Polar Surface Area

39.336

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

-12.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V013-0454 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-0454?
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What is the minimum amount of V013-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-0454
  • 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 V013-0454 available by request