F690-0781 Screening compound: N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)benzamide

F690-0781 Screening compound: N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)benzamide
F690-0781 Screening compound: N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F690-0781
N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)benzamide

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

F690-0781

Molecular Formula

C22H17ClN4O3S (C22 H17 ClN4 O3 S)

Compound Name

N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-1,3-benzothiazol-2-yl)benzamide

IUPAC name

N-(6-{[(2-chlorophenyl)carbamoyl]amino}-4-methoxy-13-benzothiazol-2-yl)benzamide

SMILES

COc1c2nc(NC(c3ccccc3)=O)sc2cc(NC(Nc(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C22H17ClN4O3S/c1-30-17-11-14(24-21(29)25-16-10-6-5-9-15(16)23)12-18-19(17)26-22(31-18)27-20(28)13-7-3-2-4-8-13/h2-12H,1H3,(H2,24,25,29)(H,26,27,28)

InChI Key

NJJBNDBDIHEXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14963572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.172

Water Solubility, LogSw

-5.74

Polar Surface Area

73.097

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

F690-0781 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 F690-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F690-0781?
Check Price and Availability of F690-0781, 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 F690-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F690-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F690-0781
  • 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 F690-0781 available by request