D336-6058 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide

D336-6058 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
D336-6058 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6058
N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide

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

D336-6058

Molecular Formula

C17H15N3O2S2 (C17 H15 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(Nc(cc1)cc2c1nc(SCC(N)=O)s2)=O

InChI

InChI=1S/C17H15N3O2S2/c1-10-4-2-3-5-12(10)16(22)19-11-6-7-13-14(8-11)24-17(20-13)23-9-15(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,22)

InChI Key

PJDDLDCBAKSXQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

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

3.197

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.56

Polar Surface Area

65.799

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D336-6058 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D336-6058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6058?
Check Price and Availability of D336-6058, 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 D336-6058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6058
  • 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 D336-6058 available by request