2332-0883 Screening compound: ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

2332-0883 Screening compound: ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate
2332-0883 Screening compound: ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0883
ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

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

2332-0883

Molecular Formula

C23H17N3O6 (C23 H17 N3 O6)

Compound Name

ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

IUPAC name

ethyl 3-[(2Z)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

SMILES

CCOC(c1cccc(NC(/C(/C#N)=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)=O)c1)=O

InChI

InChI=1S/C23H17N3O6/c1-2-31-23(28)16-6-3-7-18(11-16)25-22(27)17(14-24)13-20-9-10-21(32-20)15-5-4-8-19(12-15)26(29)30/h3-13H,2H2,1H3,(H,25,27)

InChI Key

QLTRBTAKJSSPKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.42

Polar Surface Area

102.091

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2332-0883 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 2332-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0883?
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What is the minimum amount of 2332-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0883
  • 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 2332-0883 available by request