C590-0101 Screening compound: 3,5-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine

C590-0101 Screening compound: 3,5-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine
C590-0101 Screening compound: 3,5-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0101
3,5-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine

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

C590-0101

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

3,5-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine

IUPAC name

35-dimethyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperidine

SMILES

CC(CC(C)C1)CN1C(c1cc(-c2ccc(C)cc2)n[nH]1)=O

InChI

InChI=1S/C18H23N3O/c1-12-4-6-15(7-5-12)16-9-17(20-19-16)18(22)21-10-13(2)8-14(3)11-21/h4-7,9,13-14H,8,10-11H2,1-3H3,(H,19,20)

InChI Key

BHDRUTUQAXIKAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10992133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.381

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.21

Polar Surface Area

39.243

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C590-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0101?
Check Price and Availability of C590-0101, 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 C590-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0101
  • 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 C590-0101 available by request