V013-8637 Screening compound: N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

V013-8637 Screening compound: N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide
V013-8637 Screening compound: N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8637
N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]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

V013-8637

Molecular Formula

C21H17F3N2O5S (C21 H17 F3 N2 O5 S)

Compound Name

N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

IUPAC name

N-(3-methoxyphenyl)-4-nitro-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

SMILES

COc1cccc(N(Cc2ccc(C(F)(F)F)cc2)S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)c1

InChI

InChI=1S/C21H17F3N2O5S/c1-31-19-4-2-3-18(13-19)25(14-15-5-7-16(8-6-15)21(22,23)24)32(29,30)20-11-9-17(10-12-20)26(27)28/h2-13H,14H2,1H3

InChI Key

GPWCHMPTTDICKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19877638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.63

Polar Surface Area

72.718

Acid Dissociation Constant (pKa)

25.25

Base Dissociation Constant (pKb)

-11.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

V013-8637 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V013-8637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8637?
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What is the minimum amount of V013-8637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8637
  • 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 V013-8637 available by request