8009-2693 Screening compound: N1-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-1,2-diamine

8009-2693 Screening compound: N1-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-1,2-diamine
8009-2693 Screening compound: N1-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2693
N1-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-1,2-diamine

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

8009-2693

Molecular Formula

C14H9Cl2N3S2 (C14 H9 Cl2 N3 S2)

Compound Name

N1-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-1,2-diamine

IUPAC name

N1-[(5Z)-4-chloro-5H-123-dithiazol-5-ylidene]-N2-(4-chlorophenyl)benzene-12-diamine

SMILES

ClC1=NSS/C1=N\c(cccc1)c1Nc(cc1)ccc1Cl

InChI

InChI=1S/C14H9Cl2N3S2/c15-9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18-14-13(16)19-21-20-14/h1-8,17H

InChI Key

GYYBWSQDRQHHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.238

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-5.81

Polar Surface Area

26.950

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-2693 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8009-2693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2693?
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What is the minimum amount of 8009-2693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2693
  • 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 8009-2693 available by request