8015-5605 Screening compound: N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-N-(2,4,6-triethylphenyl)amine

8015-5605 Screening compound: N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-N-(2,4,6-triethylphenyl)amine
8015-5605 Screening compound: N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-N-(2,4,6-triethylphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5605
N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-N-(2,4,6-triethylphenyl)amine

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

8015-5605

Molecular Formula

C14H17ClN2S2 (C14 H17 ClN2 S2)

Compound Name

N-(4-chloro-5H-1,2,3-dithiazol-5-yliden)-N-(2,4,6-triethylphenyl)amine

IUPAC name

(5Z)-4-chloro-N-(246-triethylphenyl)-5H-123-dithiazol-5-imine

SMILES

CCc(cc1CC)cc(CC)c1/N=C1\SSN=C1Cl

InChI

InChI=1S/C14H17ClN2S2/c1-4-9-7-10(5-2)12(11(6-3)8-9)16-14-13(15)17-19-18-14/h7-8H,4-6H2,1-3H3

InChI Key

XTFSYVDXZBUFJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-5.98

Polar Surface Area

18.038

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8015-5605 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-5605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5605?
Check Price and Availability of 8015-5605, 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 8015-5605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5605
  • 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 8015-5605 available by request