D451-0757 Screening compound: 2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

D451-0757 Screening compound: 2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide
D451-0757 Screening compound: 2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0757
2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

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

D451-0757

Molecular Formula

C23H20N4O2S3 (C23 H20 N4 O2 S3)

Compound Name

2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-1,3-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[6-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-13-benzothiazol-2-yl]sulfanyl}-N-phenylacetamide

SMILES

CSc1cccc(NC(Nc(cc2)cc3c2nc(SCC(Nc2ccccc2)=O)s3)=O)c1

InChI

InChI=1S/C23H20N4O2S3/c1-30-18-9-5-8-16(12-18)25-22(29)26-17-10-11-19-20(13-17)32-23(27-19)31-14-21(28)24-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,24,28)(H2,25,26,29)

InChI Key

KKWLVBMPGHSPRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.059

Distribution Coefficient, logD

6.059

Water Solubility, LogSw

-5.44

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D451-0757 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 D451-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0757?
Check Price and Availability of D451-0757, 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 D451-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0757
  • 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 D451-0757 available by request