8015-2001 Screening compound: {2-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]phenyl}methanol

8015-2001 Screening compound: {2-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]phenyl}methanol
8015-2001 Screening compound: {2-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]phenyl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2001
{2-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]phenyl}methanol

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

8015-2001

Molecular Formula

C9H7ClN2OS2 (C9 H7 ClN2 OS2)

Compound Name

{2-[(4-chloro-5H-1,2,3-dithiazol-5-yliden)amino]phenyl}methanol

IUPAC name

(2-{[(5Z)-4-chloro-5H-123-dithiazol-5-ylidene]amino}phenyl)methanol

SMILES

OCc(cccc1)c1/N=C1\SSN=C1Cl

InChI

InChI=1S/C9H7ClN2OS2/c10-8-9(14-15-12-8)11-7-4-2-1-3-6(7)5-13/h1-4,13H,5H2

InChI Key

CEBUEZODNIPSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.252

Water Solubility, LogSw

-1.99

Polar Surface Area

35.851

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8015-2001 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2001?
Check Price and Availability of 8015-2001, 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 8015-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2001
  • 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 8015-2001 available by request