3876-0780 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide

3876-0780 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide
3876-0780 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3876-0780
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide

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

3876-0780

Molecular Formula

C20H12ClFN2OS (C20 H12 ClFN2 OS)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-chlorophenyl]-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc(cc(cc1)-c2nc(cccc3)c3s2)c1Cl

InChI

InChI=1S/C20H12ClFN2OS/c21-15-10-7-13(20-24-16-3-1-2-4-18(16)26-20)11-17(15)23-19(25)12-5-8-14(22)9-6-12/h1-11H,(H,23,25)

InChI Key

LQBIQYBHOWQXDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.736

Distribution Coefficient, logD

5.722

Water Solubility, LogSw

-6.10

Polar Surface Area

32.081

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3876-0780 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3876-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3876-0780?
Check Price and Availability of 3876-0780, 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 3876-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3876-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3876-0780
  • 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 3876-0780 available by request