3681-3924 Screening compound: (2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

3681-3924 Screening compound: (2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
3681-3924 Screening compound: (2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-3924
(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)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

3681-3924

Molecular Formula

C21H13Cl2N3O5 (C21 H13 Cl2 N3 O5)

Compound Name

(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[5-(25-dichlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

SMILES

COc(ccc([N+]([O-])=O)c1)c1NC(/C(/C#N)=C/c1ccc(-c(cc(cc2)Cl)c2Cl)o1)=O

InChI

InChI=1S/C21H13Cl2N3O5/c1-30-20-6-3-14(26(28)29)10-18(20)25-21(27)12(11-24)8-15-4-7-19(31-15)16-9-13(22)2-5-17(16)23/h2-10H,1H3,(H,25,27)

InChI Key

DPNKJKPFOBYXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-6.03

Polar Surface Area

88.270

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3681-3924 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3681-3924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-3924?
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What is the minimum amount of 3681-3924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-3924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-3924
  • 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 3681-3924 available by request