C652-0093 Screening compound: 9-(4-chlorophenyl)benzo[5,6]chromeno[2,3-c]pyrazol-10(9H)-one

C652-0093 Screening compound: 9-(4-chlorophenyl)benzo[5,6]chromeno[2,3-c]pyrazol-10(9H)-one
C652-0093 Screening compound: 9-(4-chlorophenyl)benzo[5,6]chromeno[2,3-c]pyrazol-10(9H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C652-0093
9-(4-chlorophenyl)benzo[5,6]chromeno[2,3-c]pyrazol-10(9H)-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

C652-0093

Molecular Formula

C20H11ClN2O2 (C20 H11 ClN2 O2)

Compound Name

9-(4-chlorophenyl)benzo[5,6]chromeno[2,3-c]pyrazol-10(9H)-one

IUPAC name

14-(4-chlorophenyl)-11-oxa-1314-diazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-135791216-heptaen-15-one

SMILES

O=C(C1=C2)N(c(cc3)ccc3Cl)N=C1Oc1c2c2ccccc2cc1

InChI

InChI=1S/C20H11ClN2O2/c21-13-6-8-14(9-7-13)23-20(24)17-11-16-15-4-2-1-3-12(15)5-10-18(16)25-19(17)22-23/h1-11H

InChI Key

ZIHMRZBCPIBJAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.90

Polar Surface Area

34.314

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C652-0093 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C652-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C652-0093?
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What is the minimum amount of C652-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C652-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C652-0093
  • 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 C652-0093 available by request