3631-0224 Screening compound: (2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]prop-2-enamide

3631-0224 Screening compound: (2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]prop-2-enamide
3631-0224 Screening compound: (2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3631-0224
(2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]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

3631-0224

Molecular Formula

C21H17ClN2O3 (C21 H17 ClN2 O3)

Compound Name

(2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]prop-2-enamide

IUPAC name

(2Z)-N-benzyl-3-(4-chlorophenyl)-2-[(furan-2-yl)formamido]prop-2-enamide

SMILES

O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Cl)NCc1ccccc1

InChI

InChI=1S/C21H17ClN2O3/c22-17-10-8-15(9-11-17)13-18(24-21(26)19-7-4-12-27-19)20(25)23-14-16-5-2-1-3-6-16/h1-13H,14H2,(H,23,25)(H,24,26)

InChI Key

TYHRUHJYSLYFLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-4.70

Polar Surface Area

55.155

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3631-0224 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3631-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3631-0224?
Check Price and Availability of 3631-0224, 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 3631-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3631-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3631-0224
  • 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 3631-0224 available by request