D491-9839 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methoxybenzamide

D491-9839 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methoxybenzamide
D491-9839 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9839
N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-3-methoxybenzamide

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

D491-9839

Molecular Formula

C16H15N3O3 (C16 H15 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(Nc2ccnn2Cc2ccco2)=O)c1

InChI

InChI=1S/C16H15N3O3/c1-21-13-5-2-4-12(10-13)16(20)18-15-7-8-17-19(15)11-14-6-3-9-22-14/h2-10H,11H2,1H3,(H,18,20)

InChI Key

CXFKESGLVIDQNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

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

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.92

Polar Surface Area

53.055

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D491-9839 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-9839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9839?
Check Price and Availability of D491-9839, 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 D491-9839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9839
  • 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 D491-9839 available by request