D491-9729 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}acetamide

D491-9729 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}acetamide
D491-9729 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9729
2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}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

D491-9729

Molecular Formula

C21H22ClN3O3 (C21 H22 ClN3 O3)

Compound Name

2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}acetamide

IUPAC name

2-(4-chloro-35-dimethylphenoxy)-N-{1-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}acetamide

SMILES

Cc1cc(OCC(Nc2ccnn2Cc(cc2)ccc2OC)=O)cc(C)c1Cl

InChI

InChI=1S/C21H22ClN3O3/c1-14-10-18(11-15(2)21(14)22)28-13-20(26)24-19-8-9-23-25(19)12-16-4-6-17(27-3)7-5-16/h4-11H,12-13H2,1-3H3,(H,24,26)

InChI Key

HYDRSACZRWOGTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18077900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.88

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

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.61

Polar Surface Area

52.592

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D491-9729 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 D491-9729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9729?
Check Price and Availability of D491-9729, 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 D491-9729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9729
  • 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 D491-9729 available by request