Y040-8845 Screening compound: N-(1,3-benzothiazol-2-yl)-2,6-dichloropyridine-3-carboxamide

Y040-8845 Screening compound: N-(1,3-benzothiazol-2-yl)-2,6-dichloropyridine-3-carboxamide
Y040-8845 Screening compound: N-(1,3-benzothiazol-2-yl)-2,6-dichloropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8845
N-(1,3-benzothiazol-2-yl)-2,6-dichloropyridine-3-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

Y040-8845

Molecular Formula

C13H7Cl2N3OS (C13 H7 Cl2 N3 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)-2,6-dichloropyridine-3-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-26-dichloropyridine-3-carboxamide

SMILES

O=C(c(c(Cl)n1)ccc1Cl)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C13H7Cl2N3OS/c14-10-6-5-7(11(15)17-10)12(19)18-13-16-8-3-1-2-4-9(8)20-13/h1-6H,(H,16,18,19)

InChI Key

XMVCILMJLIEDRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08745616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-4.45

Polar Surface Area

42.211

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-8845 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-8845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8845?
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What is the minimum amount of Y040-8845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8845
  • 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 Y040-8845 available by request