V012-0069 Screening compound: N,N-diethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide

V012-0069 Screening compound: N,N-diethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide
V012-0069 Screening compound: N,N-diethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0069
N,N-diethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-1-(propan-2-yl)-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

V012-0069

Molecular Formula

C22H29N3O2S2 (C22 H29 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)cc2c1n(C(C)C)c(SCc1c(C)cccc1)n2)(=O)=O

InChI

InChI=1S/C22H29N3O2S2/c1-6-24(7-2)29(26,27)19-12-13-21-20(14-19)23-22(25(21)16(3)4)28-15-18-11-9-8-10-17(18)5/h8-14,16H,6-7,15H2,1-5H3

InChI Key

QLQFBZQJFLBUHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960178

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

431.62

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

5.677

Water Solubility, LogSw

-5.52

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V012-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0069?
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What is the minimum amount of V012-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0069
  • 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 V012-0069 available by request