2103-2697 Screening compound: (2E)-3-(3-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

2103-2697 Screening compound: (2E)-3-(3-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
2103-2697 Screening compound: (2E)-3-(3-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2103-2697
(2E)-3-(3-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)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

2103-2697

Molecular Formula

C16H9BrCl2N2O (C16 H9 BrCl2 N2 O)

Compound Name

(2E)-3-(3-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide

IUPAC name

(2E)-3-(3-bromophenyl)-2-cyano-N-(24-dichlorophenyl)prop-2-enamide

SMILES

N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C\c1cccc(Br)c1

InChI

InChI=1S/C16H9BrCl2N2O/c17-12-3-1-2-10(7-12)6-11(9-20)16(22)21-15-5-4-13(18)8-14(15)19/h1-8H,(H,21,22)

InChI Key

DLMFTYUTFQTHEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.07

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

5.470

Distribution Coefficient, logD

4.295

Water Solubility, LogSw

-6.15

Polar Surface Area

39.688

Acid Dissociation Constant (pKa)

6.25

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2103-2697 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 2103-2697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2103-2697?
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What is the minimum amount of 2103-2697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2103-2697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2103-2697
  • 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 2103-2697 available by request