7805-2161 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

7805-2161 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
7805-2161 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7805-2161
(2E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]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

7805-2161

Molecular Formula

C27H19ClN2O2S (C27 H19 ClN2 O2 S)

Compound Name

(2E)-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

IUPAC name

(2E)-N-[3-(13-benzothiazol-2-yl)phenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

SMILES

Cc(ccc(-c1ccc(/C=C/C(Nc2cc(-c3nc(cccc4)c4s3)ccc2)=O)o1)c1)c1Cl

InChI

InChI=1S/C27H19ClN2O2S/c1-17-9-10-18(16-22(17)28)24-13-11-21(32-24)12-14-26(31)29-20-6-4-5-19(15-20)27-30-23-7-2-3-8-25(23)33-27/h2-16H,1H3,(H,29,31)

InChI Key

OIQYPEYIKNBLHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.256

Distribution Coefficient, logD

8.256

Water Solubility, LogSw

-6.56

Polar Surface Area

40.135

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

7805-2161 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7805-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7805-2161?
Check Price and Availability of 7805-2161, 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 7805-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7805-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7805-2161
  • 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 7805-2161 available by request