3215-1062 Screening compound: ethyl 2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

3215-1062 Screening compound: ethyl 2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
3215-1062 Screening compound: ethyl 2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-1062
ethyl 2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

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

3215-1062

Molecular Formula

C24H20Cl2N2O4S (C24 H20 Cl2 N2 O4 S)

Compound Name

ethyl 2-[(2E)-3-(2,4-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(24-dichlorophenyl)prop-2-enamido]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)sc(C(Nc2ccccc2)=O)c1C)=O

InChI

InChI=1S/C24H20Cl2N2O4S/c1-3-32-24(31)20-14(2)21(22(30)27-17-7-5-4-6-8-17)33-23(20)28-19(29)12-10-15-9-11-16(25)13-18(15)26/h4-13H,3H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

YBIOMCHUYHRJTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.222

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-6.21

Polar Surface Area

66.755

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3215-1062 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3215-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-1062?
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What is the minimum amount of 3215-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-1062
  • 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 3215-1062 available by request