1683-0651 Screening compound: ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

1683-0651 Screening compound: ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
1683-0651 Screening compound: ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0651
ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]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

1683-0651

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c2cc([N+]([O-])=O)ccc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C19H18N2O5S/c1-2-26-19(23)17-14-7-4-8-15(14)27-18(17)20-16(22)10-9-12-5-3-6-13(11-12)21(24)25/h3,5-6,9-11H,2,4,7-8H2,1H3,(H,20,22)

InChI Key

VZLZEAWRNLUZGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00706783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-4.46

Polar Surface Area

77.332

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

1683-0651 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1683-0651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0651?
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What is the minimum amount of 1683-0651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0651
  • 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 1683-0651 available by request