0906-2964 Screening compound: (2E)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

0906-2964 Screening compound: (2E)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
0906-2964 Screening compound: (2E)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0906-2964
(2E)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

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

0906-2964

Molecular Formula

C22H15FN2OS (C22 H15 FN2 OS)

Compound Name

(2E)-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

IUPAC name

(2E)-N-[2-(13-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1F)Nc(cccc1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C22H15FN2OS/c23-16-12-9-15(10-13-16)11-14-21(26)24-18-6-2-1-5-17(18)22-25-19-7-3-4-8-20(19)27-22/h1-14H,(H,24,26)

InChI Key

PTZIECOJFMXWES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.840

Distribution Coefficient, logD

5.840

Water Solubility, LogSw

-5.88

Polar Surface Area

31.867

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0906-2964 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0906-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0906-2964?
Check Price and Availability of 0906-2964, 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 0906-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0906-2964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0906-2964
  • 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 0906-2964 available by request