D492-0085 Screening compound: 5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide

D492-0085 Screening compound: 5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide
D492-0085 Screening compound: 5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0085
5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-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

D492-0085

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide

IUPAC name

5-ethyl-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methyl-1-benzofuran-2-carboxamide

SMILES

CCc(cc1)cc2c1oc(C(Nc1ccnn1Cc1ccco1)=O)c2C

InChI

InChI=1S/C20H19N3O3/c1-3-14-6-7-17-16(11-14)13(2)19(26-17)20(24)22-18-8-9-21-23(18)12-15-5-4-10-25-15/h4-11H,3,12H2,1-2H3,(H,22,24)

InChI Key

OIAPLYAEFLSFFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.20

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D492-0085 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D492-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0085?
Check Price and Availability of D492-0085, 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 D492-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0085
  • 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 D492-0085 available by request