3379-2695 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate

3379-2695 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate
3379-2695 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2695
2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate

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

3379-2695

Molecular Formula

C20H19ClN2O4 (C20 H19 ClN2 O4)

Compound Name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate

IUPAC name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]ethyl acetate

SMILES

CC(OCCNC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H19ClN2O4/c1-14(24)27-12-11-22-20(26)18(13-15-7-9-17(21)10-8-15)23-19(25)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,22,26)(H,23,25)

InChI Key

RNZKOTBIIPFCJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-3.62

Polar Surface Area

67.839

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3379-2695 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3379-2695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2695?
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What is the minimum amount of 3379-2695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2695
  • 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 3379-2695 available by request