C301-9331 Screening compound: 1-benzyl-1H,4H-chromeno[3,4-d]imidazol-4-one

C301-9331 Screening compound: 1-benzyl-1H,4H-chromeno[3,4-d]imidazol-4-one
C301-9331 Screening compound: 1-benzyl-1H,4H-chromeno[3,4-d]imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9331
1-benzyl-1H,4H-chromeno[3,4-d]imidazol-4-one

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

C301-9331

Molecular Formula

C17H12N2O2 (C17 H12 N2 O2)

Compound Name

1-benzyl-1H,4H-chromeno[3,4-d]imidazol-4-one

IUPAC name

1-benzyl-1H4H-chromeno[34-d]imidazol-4-one

SMILES

O=C1Oc(cccc2)c2-c2c1ncn2Cc1ccccc1

InChI

InChI=1S/C17H12N2O2/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2

InChI Key

JZCHCJLKEZQWBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01605621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.554

Distribution Coefficient, logD

2.554

Water Solubility, LogSw

-3.21

Polar Surface Area

32.086

Acid Dissociation Constant (pKa)

22.32

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C301-9331 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C301-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9331?
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What is the minimum amount of C301-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9331
  • 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 C301-9331 available by request