Y042-5928 Screening compound: N~4~-(1,3-benzothiazol-2-yl)-2-bromo-5-isopropyl-1,3-thiazole-4-carboxamide

Y042-5928 Screening compound: N~4~-(1,3-benzothiazol-2-yl)-2-bromo-5-isopropyl-1,3-thiazole-4-carboxamide
Y042-5928 Screening compound: N~4~-(1,3-benzothiazol-2-yl)-2-bromo-5-isopropyl-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5928
N~4~-(1,3-benzothiazol-2-yl)-2-bromo-5-isopropyl-1,3-thiazole-4-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

Y042-5928

Molecular Formula

C14H12BrN3OS2 (C14 H12 BrN3 OS2)

Compound Name

N~4~-(1,3-benzothiazol-2-yl)-2-bromo-5-isopropyl-1,3-thiazole-4-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-bromo-5-(propan-2-yl)-13-thiazole-4-carboxamide

SMILES

CC(C)c(s1)c(C(Nc2nc(cccc3)c3s2)=O)nc1Br

InChI

InChI=1S/C14H12BrN3OS2/c1-7(2)11-10(17-13(15)21-11)12(19)18-14-16-8-5-3-4-6-9(8)20-14/h3-7H,1-2H3,(H,16,18,19)

InChI Key

XCWFGDXDWREHQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23139911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.269

Distribution Coefficient, logD

5.210

Water Solubility, LogSw

-5.19

Polar Surface Area

44.217

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y042-5928 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5928?
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What is the minimum amount of Y042-5928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5928
  • 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 Y042-5928 available by request