3772-8505 Screening compound: (2E)-2-cyano-N-(2,3-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

3772-8505 Screening compound: (2E)-2-cyano-N-(2,3-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
3772-8505 Screening compound: (2E)-2-cyano-N-(2,3-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-8505
(2E)-2-cyano-N-(2,3-dichlorophenyl)-3-(5-methylfuran-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

3772-8505

Molecular Formula

C15H10Cl2N2O2 (C15 H10 Cl2 N2 O2)

Compound Name

(2E)-2-cyano-N-(2,3-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-N-(23-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

SMILES

Cc1ccc(/C=C(/C(Nc2cccc(Cl)c2Cl)=O)\C#N)o1

InChI

InChI=1S/C15H10Cl2N2O2/c1-9-5-6-11(21-9)7-10(8-18)15(20)19-13-4-2-3-12(16)14(13)17/h2-7H,1H3,(H,19,20)

InChI Key

INDUBBXKOQITSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02353952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-4.43

Polar Surface Area

46.951

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

3772-8505 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3772-8505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-8505?
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What is the minimum amount of 3772-8505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-8505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-8505
  • 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 3772-8505 available by request