V008-2749 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide

V008-2749 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide
V008-2749 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2749
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N,N-diethyl-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

V008-2749

Molecular Formula

C21H25ClFN3O2S2 (C21 H25 ClFN3 O2 S2)

Compound Name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N,N-diethyl-1-(propan-2-yl)-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-NN-diethyl-1-(propan-2-yl)-1H-13-benzodiazole-5-sulfonamide

SMILES

CCN(CC)S(c(cc1)cc2c1n(C(C)C)c(SCc(ccc(F)c1)c1Cl)n2)(=O)=O

InChI

InChI=1S/C21H25ClFN3O2S2/c1-5-25(6-2)30(27,28)17-9-10-20-19(12-17)24-21(26(20)14(3)4)29-13-15-7-8-16(23)11-18(15)22/h7-12,14H,5-6,13H2,1-4H3

InChI Key

XOAIIFAOVCUGIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960294

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.03

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

5.782

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-6.04

Polar Surface Area

42.921

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V008-2749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2749?
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What is the minimum amount of V008-2749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2749
  • 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 V008-2749 available by request