P807-0442 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)propanamide

P807-0442 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)propanamide
P807-0442 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P807-0442
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)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

P807-0442

Molecular Formula

C23H29FN6O (C23 H29 FN6 O)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)propanamide

IUPAC name

3-(35-dimethyl-1H-pyrazol-4-yl)-N-({1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}methyl)propanamide

SMILES

Cc1c(CCC(NCC(CC2)CCN2c2cc(-c(cc3)ccc3F)n[nH]2)=O)c(C)n[nH]1

InChI

InChI=1S/C23H29FN6O/c1-15-20(16(2)27-26-15)7-8-23(31)25-14-17-9-11-30(12-10-17)22-13-21(28-29-22)18-3-5-19(24)6-4-18/h3-6,13,17H,7-12,14H2,1-2H3,(H,25,31)(H,26,27)(H,28,29)

InChI Key

WPMGRYYMYMTTCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.80

Polar Surface Area

73.759

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P807-0442 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P807-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P807-0442?
Check Price and Availability of P807-0442, 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 P807-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P807-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P807-0442
  • 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 P807-0442 available by request