V009-7852 Screening compound: N,N-diethyl-1-(propan-2-yl)-2-{[(2,3,5,6-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide

V009-7852 Screening compound: N,N-diethyl-1-(propan-2-yl)-2-{[(2,3,5,6-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide
V009-7852 Screening compound: N,N-diethyl-1-(propan-2-yl)-2-{[(2,3,5,6-tetrafluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7852
N,N-diethyl-1-(propan-2-yl)-2-{[(2,3,5,6-tetrafluorophenyl)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

V009-7852

Molecular Formula

C21H23F4N3O2S2 (C21 H23 F4 N3 O2 S2)

Compound Name

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

IUPAC name

NN-diethyl-1-(propan-2-yl)-2-{[(2356-tetrafluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(C(C)C)c(SCc(c(F)c(cc1F)F)c1F)n2)(=O)=O

InChI

InChI=1S/C21H23F4N3O2S2/c1-5-27(6-2)32(29,30)13-7-8-18-17(9-13)26-21(28(18)12(3)4)31-11-14-19(24)15(22)10-16(23)20(14)25/h7-10,12H,5-6,11H2,1-4H3

InChI Key

LVVCBLMVIJRQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960214

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

489.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.52

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V009-7852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7852?
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What is the minimum amount of V009-7852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7852
  • 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 V009-7852 available by request