3772-7987 Screening compound: 2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

3772-7987 Screening compound: 2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate
3772-7987 Screening compound: 2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-7987
2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

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

3772-7987

Molecular Formula

C18H16ClNO3 (C18 H16 ClNO3)

Compound Name

2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

IUPAC name

2-methylpropyl (2Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

SMILES

CC(C)COC(/C(/C#N)=C\c1ccc(-c(cccc2)c2Cl)o1)=O

InChI

InChI=1S/C18H16ClNO3/c1-12(2)11-22-18(21)13(10-20)9-14-7-8-17(23-14)15-5-3-4-6-16(15)19/h3-9,12H,11H2,1-2H3

InChI Key

AEWQSSDCCYBQPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.063

Water Solubility, LogSw

-5.05

Polar Surface Area

45.994

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3772-7987 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3772-7987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-7987?
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What is the minimum amount of 3772-7987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-7987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-7987
  • 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 3772-7987 available by request