3270-0834 Screening compound: (2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide

3270-0834 Screening compound: (2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
3270-0834 Screening compound: (2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3270-0834
(2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)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

3270-0834

Molecular Formula

C22H16ClN3O4 (C22 H16 ClN3 O4)

Compound Name

(2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide

IUPAC name

(2E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-2-cyano-N-(34-dimethylphenyl)prop-2-enamide

SMILES

Cc(cc1)c(C)cc1NC(/C(/C#N)=C/c1ccc(-c(cc(cc2)[N+]([O-])=O)c2Cl)o1)=O

InChI

InChI=1S/C22H16ClN3O4/c1-13-3-4-16(9-14(13)2)25-22(27)15(12-24)10-18-6-8-21(30-18)19-11-17(26(28)29)5-7-20(19)23/h3-11H,1-2H3,(H,25,27)

InChI Key

QPLSRXVAYHNKDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

6.073

Water Solubility, LogSw

-6.18

Polar Surface Area

81.337

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3270-0834 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 3270-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3270-0834?
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What is the minimum amount of 3270-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3270-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3270-0834
  • 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 3270-0834 available by request