3379-3033 Screening compound: 4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl acetate

3379-3033 Screening compound: 4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl acetate
3379-3033 Screening compound: 4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3033
4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl 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

3379-3033

Molecular Formula

C18H15ClN2O4 (C18 H15 ClN2 O4)

Compound Name

4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl acetate

IUPAC name

4-[(1E)-2-carbamoyl-2-[(2-chlorophenyl)formamido]eth-1-en-1-yl]phenyl acetate

SMILES

CC(Oc1ccc(/C=C(\C(N)=O)/NC(c(cccc2)c2Cl)=O)cc1)=O

InChI

InChI=1S/C18H15ClN2O4/c1-11(22)25-13-8-6-12(7-9-13)10-16(17(20)23)21-18(24)14-4-2-3-5-15(14)19/h2-10H,1H3,(H2,20,23)(H,21,24)

InChI Key

CGXRFMCBNGTFGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-3.15

Polar Surface Area

76.973

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3379-3033 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 3379-3033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3033?
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What is the minimum amount of 3379-3033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3033
  • 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 3379-3033 available by request