D336-6039 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-chlorobenzamide

D336-6039 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-chlorobenzamide
D336-6039 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6039
N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-chlorobenzamide

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

D336-6039

Molecular Formula

C16H12ClN3O2S2 (C16 H12 ClN3 O2 S2)

Compound Name

N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-chlorobenzamide

IUPAC name

N-{2-[(carbamoylmethyl)sulfanyl]-13-benzothiazol-6-yl}-4-chlorobenzamide

SMILES

NC(CSc1nc(ccc(NC(c(cc2)ccc2Cl)=O)c2)c2s1)=O

InChI

InChI=1S/C16H12ClN3O2S2/c17-10-3-1-9(2-4-10)15(22)19-11-5-6-12-13(7-11)24-16(20-12)23-8-14(18)21/h1-7H,8H2,(H2,18,21)(H,19,22)

InChI Key

QAKFAIOTUAHWPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.573

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-4.18

Polar Surface Area

65.799

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D336-6039 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D336-6039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6039?
Check Price and Availability of D336-6039, 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 D336-6039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6039
  • 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 D336-6039 available by request