7805-2163 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide

7805-2163 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
7805-2163 Screening compound: (2E)-N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7805-2163
(2E)-N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-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

7805-2163

Molecular Formula

C28H21ClN2O2S (C28 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(-c1ccc(/C=C/C(Nc2c(C)c(-c3nc(cccc4)c4s3)ccc2)=O)o1)c1)c1Cl

InChI

InChI=1S/C28H21ClN2O2S/c1-17-10-11-19(16-22(17)29)25-14-12-20(33-25)13-15-27(32)30-23-8-5-6-21(18(23)2)28-31-24-7-3-4-9-26(24)34-28/h3-16H,1-2H3,(H,30,32)

InChI Key

CUQTVYBYJRVACI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.01

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

8.388

Distribution Coefficient, logD

8.388

Water Solubility, LogSw

-6.46

Polar Surface Area

39.437

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

7805-2163 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7805-2163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7805-2163?
Check Price and Availability of 7805-2163, 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 7805-2163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7805-2163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7805-2163
  • 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 7805-2163 available by request