5435-0023 Screening compound: 3-(1H-INDOL-3-YL)-2-[(2E)-3-(4-METHYLPHENYL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDO]PROPANOIC ACID

5435-0023 Screening compound: 3-(1H-INDOL-3-YL)-2-[(2E)-3-(4-METHYLPHENYL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDO]PROPANOIC ACID
5435-0023 Screening compound: 3-(1H-INDOL-3-YL)-2-[(2E)-3-(4-METHYLPHENYL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDO]PROPANOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 5435-0023
3-(1H-INDOL-3-YL)-2-[(2E)-3-(4-METHYLPHENYL)-2-(PHENYLFORMAMIDO)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

5435-0023

Molecular Formula

C28H25N3O4 (C28 H25 N3 O4)

Compound Name

3-(1H-INDOL-3-YL)-2-[(2E)-3-(4-METHYLPHENYL)-2-(PHENYLFORMAMIDO)PROP-2-ENAMIDO]PROPANOIC ACID

IUPAC name

n/a

SMILES

Cc1ccc(/C=C(\C(NC(Cc2c[nH]c3c2cccc3)C(O)=O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C28H25N3O4/c1-18-11-13-19(14-12-18)15-24(30-26(32)20-7-3-2-4-8-20)27(33)31-25(28(34)35)16-21-17-29-23-10-6-5-9-22(21)23/h2-15,17,25,29H,16H2,1H3,(H,30,32)(H,31,33)(H,34,35)/t25-/m0/s1

InChI Key

SHLJAHHMZAFJLB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14710573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

-0.078

Water Solubility, LogSw

-3.30

Polar Surface Area

84.486

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

5435-0023 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5435-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5435-0023?
Check Price and Availability of 5435-0023, 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 5435-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5435-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5435-0023
  • 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 5435-0023 available by request