3379-2995 Screening compound: 3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid

3379-2995 Screening compound: 3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid
3379-2995 Screening compound: 3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2995
3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid

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

3379-2995

Molecular Formula

C20H19ClN2O5 (C20 H19 ClN2 O5)

Compound Name

3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid

IUPAC name

3-[(2E)-2-[(2-chlorophenyl)formamido]-3-(4-methoxyphenyl)prop-2-enamido]propanoic acid

SMILES

COc1ccc(/C=C(\C(NCCC(O)=O)=O)/NC(c(cccc2)c2Cl)=O)cc1

InChI

InChI=1S/C20H19ClN2O5/c1-28-14-8-6-13(7-9-14)12-17(20(27)22-11-10-18(24)25)23-19(26)15-4-2-3-5-16(15)21/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,26)(H,24,25)

InChI Key

YWAYESOOCVZRHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.847

Distribution Coefficient, logD

-0.849

Water Solubility, LogSw

-2.78

Polar Surface Area

82.617

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3379-2995 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 3379-2995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2995?
Check Price and Availability of 3379-2995, 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 3379-2995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2995
  • 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 3379-2995 available by request