D336-6069 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(2-chlorophenoxy)acetamide

D336-6069 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(2-chlorophenoxy)acetamide
D336-6069 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(2-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6069
N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(2-chlorophenoxy)acetamide

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

D336-6069

Molecular Formula

C17H14ClN3O3S2 (C17 H14 ClN3 O3 S2)

Compound Name

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

IUPAC name

N-{2-[(carbamoylmethyl)sulfanyl]-13-benzothiazol-6-yl}-2-(2-chlorophenoxy)acetamide

SMILES

NC(CSc1nc(ccc(NC(COc(cccc2)c2Cl)=O)c2)c2s1)=O

InChI

InChI=1S/C17H14ClN3O3S2/c18-11-3-1-2-4-13(11)24-8-16(23)20-10-5-6-12-14(7-10)26-17(21-12)25-9-15(19)22/h1-7H,8-9H2,(H2,19,22)(H,20,23)

InChI Key

CLSWSFBDJDJQHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.76

Polar Surface Area

73.171

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D336-6069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D336-6069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6069?
Check Price and Availability of D336-6069, 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 D336-6069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6069
  • 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 D336-6069 available by request