V013-5239 Screening compound: N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-methylbenzene-1-sulfonamide

V013-5239 Screening compound: N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-methylbenzene-1-sulfonamide
V013-5239 Screening compound: N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5239
N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-methylbenzene-1-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

V013-5239

Molecular Formula

C22H25ClN2O3S2 (C22 H25 ClN2 O3 S2)

Compound Name

N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-4-methylbenzene-1-sulfonamide

IUPAC name

N-(butan-2-yl)-N-({2-[(4-chlorophenoxy)methyl]-13-thiazol-4-yl}methyl)-4-methylbenzene-1-sulfonamide

SMILES

CCC(C)N(Cc1csc(COc(cc2)ccc2Cl)n1)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H25ClN2O3S2/c1-4-17(3)25(30(26,27)21-11-5-16(2)6-12-21)13-19-15-29-22(24-19)14-28-20-9-7-18(23)8-10-20/h5-12,15,17H,4,13-14H2,1-3H3/t17-/m0/s1

InChI Key

GUQFHSISHZWQLS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19864667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.04

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.195

Distribution Coefficient, logD

6.195

Water Solubility, LogSw

-6.26

Polar Surface Area

50.204

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V013-5239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5239?
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What is the minimum amount of V013-5239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5239
  • 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 V013-5239 available by request