L598-0534 Screening compound: N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzene-1-sulfonamide

L598-0534 Screening compound: N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzene-1-sulfonamide
L598-0534 Screening compound: N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0534
N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-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

L598-0534

Molecular Formula

C20H19N3O2S2 (C20 H19 N3 O2 S2)

Compound Name

N-(3-cyanophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

N-(3-cyanophenyl)-5-(2-methyl-13-thiazol-4-yl)-2-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)c(ccc(-c1csc(C)n1)c1)c1S(Nc1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C20H19N3O2S2/c1-13(2)18-8-7-16(19-12-26-14(3)22-19)10-20(18)27(24,25)23-17-6-4-5-15(9-17)11-21/h4-10,12-13,23H,1-3H3

InChI Key

XZKVPYMUJRLOGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-5.06

Polar Surface Area

67.485

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L598-0534 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 L598-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0534?
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What is the minimum amount of L598-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0534
  • 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 L598-0534 available by request