V010-9979 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide

V010-9979 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide
V010-9979 Screening compound: 2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9979
2-{[(2-chloro-3,6-difluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-[(oxolan-2-yl)methyl]-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

V010-9979

Molecular Formula

C23H26ClF2N3O3S2 (C23 H26 ClF2 N3 O3 S2)

Compound Name

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

IUPAC name

2-{[(2-chloro-36-difluorophenyl)methyl]sulfanyl}-NN-diethyl-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(c(Cl)c(cc1)F)c1F)n2)(=O)=O

InChI

InChI=1S/C23H26ClF2N3O3S2/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(25)8-9-19(26)22(17)24/h7-10,12,15H,3-6,11,13-14H2,1-2H3/t15-/m1/s1

InChI Key

FIBPQODIPYHVTK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19960192

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.06

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

5.482

Distribution Coefficient, logD

5.482

Water Solubility, LogSw

-5.95

Polar Surface Area

50.228

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V010-9979 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V010-9979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9979
  • 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 V010-9979 available by request