1451-0042 Screening compound: N1-[(5E)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]benzene-1,2-diamine

1451-0042 Screening compound: N1-[(5E)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]benzene-1,2-diamine
1451-0042 Screening compound: N1-[(5E)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]benzene-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1451-0042
N1-[(5E)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]-N2-[(5Z)-4-chloro-5H-1,2,3-dithiazol-5-ylidene]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

1451-0042

Molecular Formula

C10H4Cl2N4S4 (C10 H4 Cl2 N4 S4)

Compound Name

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

IUPAC name

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

SMILES

ClC1=NSS/C1=N/c(cccc1)c1/N=C1\SSN=C1Cl

InChI

InChI=1S/C10H4Cl2N4S4/c11-7-9(17-19-15-7)13-5-3-1-2-4-6(5)14-10-8(12)16-20-18-10/h1-4H

InChI Key

SOFJXFLMCZEWIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.095

Water Solubility, LogSw

-3.58

Polar Surface Area

37.232

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1451-0042 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1451-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1451-0042?
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What is the minimum amount of 1451-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1451-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1451-0042
  • 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 1451-0042 available by request