D491-9646 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}propanamide

D491-9646 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}propanamide
D491-9646 Screening compound: 2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9646
2-(4-chloro-3,5-dimethylphenoxy)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}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

D491-9646

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1ccnn1Cc1ccc(C)cc1)=O)Oc(cc1C)cc(C)c1Cl

InChI

InChI=1S/C22H24ClN3O2/c1-14-5-7-18(8-6-14)13-26-20(9-10-24-26)25-22(27)17(4)28-19-11-15(2)21(23)16(3)12-19/h5-12,17H,13H2,1-4H3,(H,25,27)/t17-/m0/s1

InChI Key

PEWGWHZNZWRBGL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18077068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.261

Distribution Coefficient, logD

5.261

Water Solubility, LogSw

-5.69

Polar Surface Area

44.552

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D491-9646 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 D491-9646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9646?
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What is the minimum amount of D491-9646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9646
  • 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 D491-9646 available by request