L598-0032 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide

L598-0032 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide
L598-0032 Screening compound: N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0032
N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzene-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

L598-0032

Molecular Formula

C18H17ClN2O2S2 (C18 H17 ClN2 O2 S2)

Compound Name

N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzene-1-sulfonamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-methyl-5-(2-methyl-13-thiazol-4-yl)benzene-1-sulfonamide

SMILES

Cc1nc(-c2cc(S(NCc(cccc3)c3Cl)(=O)=O)c(C)cc2)cs1

InChI

InChI=1S/C18H17ClN2O2S2/c1-12-7-8-14(17-11-24-13(2)21-17)9-18(12)25(22,23)20-10-15-5-3-4-6-16(15)19/h3-9,11,20H,10H2,1-2H3

InChI Key

DHJQOGQMAVRPBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

5.207

Water Solubility, LogSw

-5.80

Polar Surface Area

51.537

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

L598-0032 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L598-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0032?
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What is the minimum amount of L598-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0032
  • 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 L598-0032 available by request