D492-0095 Screening compound: 6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-carboxamide

D492-0095 Screening compound: 6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-carboxamide
D492-0095 Screening compound: 6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0095
6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-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

D492-0095

Molecular Formula

C18H12ClN3O4 (C18 H12 ClN3 O4)

Compound Name

6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-carboxamide

IUPAC name

6-chloro-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-4-oxo-4H-chromene-2-carboxamide

SMILES

O=C(C(Oc(cc1)c2cc1Cl)=CC2=O)Nc1ccnn1Cc1ccco1

InChI

InChI=1S/C18H12ClN3O4/c19-11-3-4-15-13(8-11)14(23)9-16(26-15)18(24)21-17-5-6-20-22(17)10-12-2-1-7-25-12/h1-9H,10H2,(H,21,24)

InChI Key

VGZOKRDQZSLRID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.92

Polar Surface Area

67.330

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D492-0095 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D492-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0095?
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What is the minimum amount of D492-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0095
  • 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 D492-0095 available by request