3771-7344 Screening compound: butyl 4-[(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

3771-7344 Screening compound: butyl 4-[(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate
3771-7344 Screening compound: butyl 4-[(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-7344
butyl 4-[(2E)-2-cyano-3-[5-(4-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

3771-7344

Molecular Formula

C25H21N3O6 (C25 H21 N3 O6)

Compound Name

butyl 4-[(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

IUPAC name

butyl 4-[(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamido]benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O)=O

InChI

InChI=1S/C25H21N3O6/c1-2-3-14-33-25(30)18-4-8-20(9-5-18)27-24(29)19(16-26)15-22-12-13-23(34-22)17-6-10-21(11-7-17)28(31)32/h4-13,15H,2-3,14H2,1H3,(H,27,29)

InChI Key

VKJAITBCQZOJHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02354077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.249

Distribution Coefficient, logD

6.189

Water Solubility, LogSw

-5.50

Polar Surface Area

102.385

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

3771-7344 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3771-7344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-7344?
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What is the minimum amount of 3771-7344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-7344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-7344
  • 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 3771-7344 available by request