V010-9531 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide

V010-9531 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide
V010-9531 Screening compound: N,N-diethyl-1-[(furan-2-yl)methyl]-2-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9531
N,N-diethyl-1-[(furan-2-yl)methyl]-2-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-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

V010-9531

Molecular Formula

C23H22F3N3O3S2 (C23 H22 F3 N3 O3 S2)

Compound Name

N,N-diethyl-1-[(furan-2-yl)methyl]-2-{[(2,3,6-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

NN-diethyl-1-[(furan-2-yl)methyl]-2-{[(236-trifluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(Cc1ccco1)c(SCc(c(F)ccc1F)c1F)n2)(=O)=O

InChI

InChI=1S/C23H22F3N3O3S2/c1-3-28(4-2)34(30,31)16-7-10-21-20(12-16)27-23(29(21)13-15-6-5-11-32-15)33-14-17-18(24)8-9-19(25)22(17)26/h5-12H,3-4,13-14H2,1-2H3

InChI Key

UPFZGIXRAFOBSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960283

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.843

Distribution Coefficient, logD

5.842

Water Solubility, LogSw

-5.60

Polar Surface Area

49.323

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V010-9531 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V010-9531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9531?
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What is the minimum amount of V010-9531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9531
  • 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 V010-9531 available by request