8013-1669 Screening compound: N~4~-benzyl-3,5-dichloro-4-isothiazolecarboxamide

8013-1669 Screening compound: N~4~-benzyl-3,5-dichloro-4-isothiazolecarboxamide
8013-1669 Screening compound: N~4~-benzyl-3,5-dichloro-4-isothiazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1669
N~4~-benzyl-3,5-dichloro-4-isothiazolecarboxamide

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

8013-1669

Molecular Formula

C11H8Cl2N2OS (C11 H8 Cl2 N2 OS)

Compound Name

N~4~-benzyl-3,5-dichloro-4-isothiazolecarboxamide

IUPAC name

N-benzyl-35-dichloro-12-thiazole-4-carboxamide

SMILES

O=C(c(c(Cl)ns1)c1Cl)NCc1ccccc1

InChI

InChI=1S/C11H8Cl2N2OS/c12-9-8(10(13)17-15-9)11(16)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,16)

InChI Key

LCBAITAXUBAEQW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.99

Polar Surface Area

35.781

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8013-1669 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?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 8013-1669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1669?
Check Price and Availability of 8013-1669, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-1669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1669
  • 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 8013-1669 available by request