Y041-8769 Screening compound: 2-bromo-5-(propan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

Y041-8769 Screening compound: 2-bromo-5-(propan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
Y041-8769 Screening compound: 2-bromo-5-(propan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8769
2-bromo-5-(propan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-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

Y041-8769

Molecular Formula

C12H14BrN3OS2 (C12 H14 BrN3 OS2)

Compound Name

2-bromo-5-(propan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-bromo-5-(propan-2-yl)-N-[2-(13-thiazol-2-yl)ethyl]-13-thiazole-4-carboxamide

SMILES

CC(C)c(s1)c(C(NCCc2nccs2)=O)nc1Br

InChI

InChI=1S/C12H14BrN3OS2/c1-7(2)10-9(16-12(13)19-10)11(17)15-4-3-8-14-5-6-18-8/h5-7H,3-4H2,1-2H3,(H,15,17)

InChI Key

DUDYYGBSOGXVNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23138363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.26

Polar Surface Area

46.552

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y041-8769 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-8769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8769?
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What is the minimum amount of Y041-8769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8769
  • 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 Y041-8769 available by request