4340-1703 Screening compound: (2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

4340-1703 Screening compound: (2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]prop-2-enamide
4340-1703 Screening compound: (2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1703
(2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]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

4340-1703

Molecular Formula

C27H22N2O4S (C27 H22 N2 O4 S)

Compound Name

(2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

IUPAC name

(2E)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)-N-[(pyridin-3-yl)methyl]prop-2-enamide

SMILES

O=C(/C(/S(c1ccccc1)(=O)=O)=C\c1cc(Oc2ccccc2)ccc1)NCc1cnccc1

InChI

InChI=1S/C27H22N2O4S/c30-27(29-20-22-10-8-16-28-19-22)26(34(31,32)25-14-5-2-6-15-25)18-21-9-7-13-24(17-21)33-23-11-3-1-4-12-23/h1-19H,20H2,(H,29,30)

InChI Key

CDSCPDODWIMWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02998547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.32

Polar Surface Area

70.418

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

4340-1703 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4340-1703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1703?
Check Price and Availability of 4340-1703, 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 4340-1703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1703
  • 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 4340-1703 available by request