D492-0054 Screening compound: 6-chloro-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-chromene-2-carboxamide

D492-0054 Screening compound: 6-chloro-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-chromene-2-carboxamide
D492-0054 Screening compound: 6-chloro-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0054
6-chloro-4-oxo-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-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

D492-0054

Molecular Formula

C18H12ClN3O3S (C18 H12 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(Oc(cc1)c2cc1Cl)=CC2=O)Nc1ccnn1Cc1cccs1

InChI

InChI=1S/C18H12ClN3O3S/c19-11-3-4-15-13(8-11)14(23)9-16(25-15)18(24)21-17-5-6-20-22(17)10-12-2-1-7-26-12/h1-9H,10H2,(H,21,24)

InChI Key

GHUSBAFLBQGXCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-4.31

Polar Surface Area

60.599

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D492-0054 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D492-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0054?
Check Price and Availability of D492-0054, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D492-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0054
  • 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 D492-0054 available by request