D491-9897 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

D491-9897 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide
D491-9897 Screening compound: N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9897
N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

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

D491-9897

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-2-[5-methyl-2-(propan-2-yl)phenoxy]acetamide

SMILES

CC(C)c(ccc(C)c1)c1OCC(Nc1ccnn1Cc1ccco1)=O

InChI

InChI=1S/C20H23N3O3/c1-14(2)17-7-6-15(3)11-18(17)26-13-20(24)22-19-8-9-21-23(19)12-16-5-4-10-25-16/h4-11,14H,12-13H2,1-3H3,(H,22,24)

InChI Key

UNKXAWOWJYABLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.12

Polar Surface Area

52.884

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D491-9897 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 D491-9897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9897?
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What is the minimum amount of D491-9897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9897
  • 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 D491-9897 available by request