Y040-9332 Screening compound: methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate

Y040-9332 Screening compound: methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate
Y040-9332 Screening compound: methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9332
methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate

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

Y040-9332

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate

IUPAC name

methyl 2-{1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl}acetate

SMILES

COC(CC(CC1)CCN1C(c1cc(-c2cccs2)nn1-c1ccccc1)=O)=O

InChI

InChI=1S/C22H23N3O3S/c1-28-21(26)14-16-9-11-24(12-10-16)22(27)19-15-18(20-8-5-13-29-20)23-25(19)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3

InChI Key

JBTAEQNNSPGXHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18800057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.18

Polar Surface Area

51.307

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y040-9332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9332?
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What is the minimum amount of Y040-9332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9332
  • 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 Y040-9332 available by request