8017-7810 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-phenethylacetamide

8017-7810 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-phenethylacetamide
8017-7810 Screening compound: 2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7810
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-phenethylacetamide

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

8017-7810

Molecular Formula

C15H18ClN3O (C15 H18 ClN3 O)

Compound Name

2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N~1~-phenethylacetamide

IUPAC name

2-(4-chloro-35-dimethyl-1H-pyrazol-1-yl)-N-(2-phenylethyl)acetamide

SMILES

Cc(n(CC(NCCc1ccccc1)=O)nc1C)c1Cl

InChI

InChI=1S/C15H18ClN3O/c1-11-15(16)12(2)19(18-11)10-14(20)17-9-8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,17,20)

InChI Key

XAOPWJVXLGZEHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-2.92

Polar Surface Area

38.833

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8017-7810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7810?
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What is the minimum amount of 8017-7810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7810
  • 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 8017-7810 available by request