D492-0039 Screening compound: 3-methyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide

D492-0039 Screening compound: 3-methyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide
D492-0039 Screening compound: 3-methyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0039
3-methyl-N-{1-[(thiophen-2-yl)methyl]-1H-pyrazol-5-yl}-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

D492-0039

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc2ccnn2Cc2cccs2)=O)oc2c1cccc2

InChI

InChI=1S/C18H15N3O2S/c1-12-14-6-2-3-7-15(14)23-17(12)18(22)20-16-8-9-19-21(16)11-13-5-4-10-24-13/h2-10H,11H2,1H3,(H,20,22)

InChI Key

SUOBZBHOANGESG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10720035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.10

Polar Surface Area

47.307

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D492-0039 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D492-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0039?
Check Price and Availability of D492-0039, 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 D492-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0039
  • 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 D492-0039 available by request