D451-0936 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D451-0936 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D451-0936 Screening compound: N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0936
N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]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

D451-0936

Molecular Formula

C23H19FN4O3S2 (C23 H19 FN4 O3 S2)

Compound Name

N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-fluorophenyl)-2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

COc1cccc(NC(Nc(cc2)cc3c2nc(SCC(Nc(cc2)ccc2F)=O)s3)=O)c1

InChI

InChI=1S/C23H19FN4O3S2/c1-31-18-4-2-3-16(11-18)26-22(30)27-17-9-10-19-20(12-17)33-23(28-19)32-13-21(29)25-15-7-5-14(24)6-8-15/h2-12H,13H2,1H3,(H,25,29)(H2,26,27,30)

InChI Key

WJVVGGINSUDSGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.886

Distribution Coefficient, logD

5.886

Water Solubility, LogSw

-5.51

Polar Surface Area

72.044

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D451-0936 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 D451-0936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0936?
Check Price and Availability of D451-0936, 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 D451-0936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0936
  • 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 D451-0936 available by request