2425-4364 Screening compound: 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2425-4364 Screening compound: 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2425-4364 Screening compound: 2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2425-4364
2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

2425-4364

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(/C=C/c2cc([N+]([O-])=O)ccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C18H17N3O4S/c19-17(23)16-13-6-1-2-7-14(13)26-18(16)20-15(22)9-8-11-4-3-5-12(10-11)21(24)25/h3-5,8-10H,1-2,6-7H2,(H2,19,23)(H,20,22)

InChI Key

BHCPWPAQIFSANX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00729589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-3.18

Polar Surface Area

90.272

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2425-4364 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 2425-4364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2425-4364?
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What is the minimum amount of 2425-4364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2425-4364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2425-4364
  • 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 2425-4364 available by request