3802-0291 Screening compound: 2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

3802-0291 Screening compound: 2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid
3802-0291 Screening compound: 2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0291
2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic 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

3802-0291

Molecular Formula

C25H22N2O6 (C25 H22 N2 O6)

Compound Name

2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

IUPAC name

2-[(2Z)-3-(4-methoxyphenyl)-2-[(4-methoxyphenyl)formamido]prop-2-enamido]benzoic acid

SMILES

COc1ccc(/C=C(/C(Nc(cccc2)c2C(O)=O)=O)\NC(c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C25H22N2O6/c1-32-18-11-7-16(8-12-18)15-22(27-23(28)17-9-13-19(33-2)14-10-17)24(29)26-21-6-4-3-5-20(21)25(30)31/h3-15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)

InChI Key

CNJKNYMSRBTEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

0.008

Water Solubility, LogSw

-4.20

Polar Surface Area

88.052

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3802-0291 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3802-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0291?
Check Price and Availability of 3802-0291, 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 3802-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0291
  • 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 3802-0291 available by request