Y040-5174 Screening compound: N-cyclooctyl-4-methyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide

Y040-5174 Screening compound: N-cyclooctyl-4-methyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide
Y040-5174 Screening compound: N-cyclooctyl-4-methyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5174
N-cyclooctyl-4-methyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide

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

Y040-5174

Molecular Formula

C19H25N3O3S2 (C19 H25 N3 O3 S2)

Compound Name

N-cyclooctyl-4-methyl-2-[(phenylsulfonyl)amino]-1,3-thiazole-5-carboxamide

IUPAC name

2-benzenesulfonamido-N-cyclooctyl-4-methyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NC2CCCCCCC2)=O)sc(NS(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C19H25N3O3S2/c1-14-17(18(23)21-15-10-6-3-2-4-7-11-15)26-19(20-14)22-27(24,25)16-12-8-5-9-13-16/h5,8-9,12-13,15H,2-4,6-7,10-11H2,1H3,(H,20,22)(H,21,23)

InChI Key

AAUGJLCZOARNFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12925949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-4.25

Polar Surface Area

75.981

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

Y040-5174 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 Y040-5174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5174?
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What is the minimum amount of Y040-5174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5174
  • 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 Y040-5174 available by request