D491-9562 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide

D491-9562 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide
D491-9562 Screening compound: N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9562
N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide

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

D491-9562

Molecular Formula

C20H21N3O3 (C20 H21 N3 O3)

Compound Name

N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide

IUPAC name

N-(1-benzyl-1H-pyrazol-5-yl)-2-(2-methoxyphenoxy)propanamide

SMILES

CC(C(Nc1ccnn1Cc1ccccc1)=O)Oc(cccc1)c1OC

InChI

InChI=1S/C20H21N3O3/c1-15(26-18-11-7-6-10-17(18)25-2)20(24)22-19-12-13-21-23(19)14-16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,22,24)/t15-/m0/s1

InChI Key

YBYRTIDCSVKRAP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD18076880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

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

3.051

Distribution Coefficient, logD

3.051

Water Solubility, LogSw

-3.35

Polar Surface Area

52.269

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D491-9562 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D491-9562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9562?
Check Price and Availability of D491-9562, 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 D491-9562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9562
  • 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 D491-9562 available by request