1683-0507 Screening compound: ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]thiophene-3-carboxylate

1683-0507 Screening compound: ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]thiophene-3-carboxylate
1683-0507 Screening compound: ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0507
ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]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

1683-0507

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]thiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-4-methyl-2-[(2E)-3-phenylprop-2-enamido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c2ccccc2)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C19H19NO4S/c1-4-24-19(23)16-12(2)17(13(3)21)25-18(16)20-15(22)11-10-14-8-6-5-7-9-14/h5-11H,4H2,1-3H3,(H,20,22)

InChI Key

VKGUFJHEUSYLCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00586561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

1.068

Water Solubility, LogSw

-4.13

Polar Surface Area

57.491

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

1683-0507 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1683-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0507?
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What is the minimum amount of 1683-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0507
  • 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 1683-0507 available by request