4295-0598 Screening compound: (2E)-2-[(3,4-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide

4295-0598 Screening compound: (2E)-2-[(3,4-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide
4295-0598 Screening compound: (2E)-2-[(3,4-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4295-0598
(2E)-2-[(3,4-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide

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

4295-0598

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

(2E)-2-[(3,4-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-2-[(34-dimethylphenyl)formamido]-N-[2-(1H-indol-3-yl)ethyl]-3-(thiophen-2-yl)prop-2-enamide

SMILES

Cc(cc1)c(C)cc1C(N/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c1cccs1)=O

InChI

InChI=1S/C26H25N3O2S/c1-17-9-10-19(14-18(17)2)25(30)29-24(15-21-6-5-13-32-21)26(31)27-12-11-20-16-28-23-8-4-3-7-22(20)23/h3-10,13-16,28H,11-12H2,1-2H3,(H,27,31)(H,29,30)

InChI Key

CQJONPYCQJWGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.225

Water Solubility, LogSw

-4.73

Polar Surface Area

57.307

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4295-0598 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4295-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4295-0598?
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What is the minimum amount of 4295-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4295-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4295-0598
  • 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 4295-0598 available by request