D336-6079 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide

D336-6079 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide
D336-6079 Screening compound: N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6079
N-{2-[(carbamoylmethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide

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

D336-6079

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

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

IUPAC name

N-{2-[(carbamoylmethyl)sulfanyl]-13-benzothiazol-6-yl}-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)cc3c2nc(SCC(N)=O)s3)=O)c1

InChI

InChI=1S/C17H15N3O3S2/c1-23-12-4-2-3-10(7-12)16(22)19-11-5-6-13-14(8-11)25-17(20-13)24-9-15(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,22)

InChI Key

UDUOZOHBOGJBEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.52

Polar Surface Area

73.343

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D336-6079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D336-6079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6079?
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What is the minimum amount of D336-6079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6079
  • 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 D336-6079 available by request