Y041-8859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide

Y041-8859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
Y041-8859 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8859
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-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

Y041-8859

Molecular Formula

C15H15BrN2O3S (C15 H15 BrN2 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-1,3-thiazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-bromo-5-(propan-2-yl)-13-thiazole-4-carboxamide

SMILES

CC(C)c(s1)c(C(NCc(cc2)cc3c2OCO3)=O)nc1Br

InChI

InChI=1S/C15H15BrN2O3S/c1-8(2)13-12(18-15(16)22-13)14(19)17-6-9-3-4-10-11(5-9)21-7-20-10/h3-5,8H,6-7H2,1-2H3,(H,17,19)

InChI Key

MQERFVUJRUHWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28031525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.97

Polar Surface Area

52.893

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y041-8859 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 Y041-8859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8859?
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What is the minimum amount of Y041-8859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8859
  • 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 Y041-8859 available by request