3772-9575 Screening compound: propan-2-yl (2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

3772-9575 Screening compound: propan-2-yl (2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate
3772-9575 Screening compound: propan-2-yl (2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-9575
propan-2-yl (2E)-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

3772-9575

Molecular Formula

C17H14ClNO3 (C17 H14 ClNO3)

Compound Name

propan-2-yl (2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

IUPAC name

propan-2-yl (2E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

SMILES

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

InChI

InChI=1S/C17H14ClNO3/c1-11(2)21-17(20)12(10-19)9-13-7-8-16(22-13)14-5-3-4-6-15(14)18/h3-9,11H,1-2H3

InChI Key

REUQPFHXGISZIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01918450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.683

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.83

Polar Surface Area

45.297

Acid Dissociation Constant (pKa)

29.31

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3772-9575 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 3772-9575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-9575?
Check Price and Availability of 3772-9575, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3772-9575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-9575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-9575
  • 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 3772-9575 available by request