7840-2728 Screening compound: (2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide

7840-2728 Screening compound: (2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide
7840-2728 Screening compound: (2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-2728
(2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)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

7840-2728

Molecular Formula

C23H17ClN2O2S (C23 H17 ClN2 O2 S)

Compound Name

(2E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide

IUPAC name

(2E)-N-[5-(13-benzothiazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide

SMILES

COc(ccc(-c1nc(cccc2)c2s1)c1)c1NC(/C=C/c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H17ClN2O2S/c1-28-20-12-9-16(23-26-18-4-2-3-5-21(18)29-23)14-19(20)25-22(27)13-8-15-6-10-17(24)11-7-15/h2-14H,1H3,(H,25,27)

InChI Key

YYCGSOYHWUALGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05850211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.92

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

6.474

Distribution Coefficient, logD

6.474

Water Solubility, LogSw

-6.43

Polar Surface Area

39.498

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

7840-2728 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 7840-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-2728?
Check Price and Availability of 7840-2728, 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 7840-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-2728
  • 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 7840-2728 available by request