8017-4202 Screening compound: N~1~-[4-(1-benzofuran-2-yl)phenyl]-1-cyclopropanecarboxamide

8017-4202 Screening compound: N~1~-[4-(1-benzofuran-2-yl)phenyl]-1-cyclopropanecarboxamide
8017-4202 Screening compound: N~1~-[4-(1-benzofuran-2-yl)phenyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4202
N~1~-[4-(1-benzofuran-2-yl)phenyl]-1-cyclopropanecarboxamide

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

8017-4202

Molecular Formula

C18H15NO2 (C18 H15 NO2)

Compound Name

N~1~-[4-(1-benzofuran-2-yl)phenyl]-1-cyclopropanecarboxamide

IUPAC name

N-[4-(1-benzofuran-2-yl)phenyl]cyclopropanecarboxamide

SMILES

O=C(C1CC1)Nc(cc1)ccc1-c1cc(cccc2)c2o1

InChI

InChI=1S/C18H15NO2/c20-18(13-5-6-13)19-15-9-7-12(8-10-15)17-11-14-3-1-2-4-16(14)21-17/h1-4,7-11,13H,5-6H2,(H,19,20)

InChI Key

VZVJDOHPRHERPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-5.01

Polar Surface Area

31.874

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8017-4202 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8017-4202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4202?
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What is the minimum amount of 8017-4202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4202
  • 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 8017-4202 available by request