8012-3733 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide

8012-3733 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide
8012-3733 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3733
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide

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

8012-3733

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)cyclopentanecarboxamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(C1CCCC1)=O

InChI

InChI=1S/C17H21N3O2/c1-12-15(18-16(21)13-8-6-7-9-13)17(22)20(19(12)2)14-10-4-3-5-11-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,21)

InChI Key

YLCGZCMDNNNIJF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.431

Distribution Coefficient, logD

1.269

Water Solubility, LogSw

-1.58

Polar Surface Area

44.269

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

-6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

8012-3733 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8012-3733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3733?
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What is the minimum amount of 8012-3733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3733
  • 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 8012-3733 available by request