P869-0168 Screening compound: 1-(5-CHLORO-2-METHYLPHENYL)-3-{1-[3-(PYRIDIN-4-YL)-1H-PYRAZOL-5-YL]PIPERIDIN-3-YL}UREA

P869-0168 Screening compound: 1-(5-CHLORO-2-METHYLPHENYL)-3-{1-[3-(PYRIDIN-4-YL)-1H-PYRAZOL-5-YL]PIPERIDIN-3-YL}UREA
P869-0168 Screening compound: 1-(5-CHLORO-2-METHYLPHENYL)-3-{1-[3-(PYRIDIN-4-YL)-1H-PYRAZOL-5-YL]PIPERIDIN-3-YL}UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound P869-0168
1-(5-CHLORO-2-METHYLPHENYL)-3-{1-[3-(PYRIDIN-4-YL)-1H-PYRAZOL-5-YL]PIPERIDIN-3-YL}UREA

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

P869-0168

Molecular Formula

C21H23ClN6O (C21 H23 ClN6 O)

Compound Name

1-(5-CHLORO-2-METHYLPHENYL)-3-{1-[3-(PYRIDIN-4-YL)-1H-PYRAZOL-5-YL]PIPERIDIN-3-YL}UREA

IUPAC name

n/a

SMILES

Cc(ccc(Cl)c1)c1NC(NC(CCC1)CN1c1cc(-c2ccncc2)n[nH]1)=O

InChI

InChI=1S/C21H23ClN6O/c1-14-4-5-16(22)11-18(14)25-21(29)24-17-3-2-10-28(13-17)20-12-19(26-27-20)15-6-8-23-9-7-15/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,26,27)(H2,24,25,29)/t17-/m0/s1

InChI Key

RPCXRYJBPRQURG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27615789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-3.72

Polar Surface Area

67.466

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

P869-0168 in Drug Discovery

Included in Screening Libraries

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

Anticancer Library (62698 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P869-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P869-0168?
Check Price and Availability of P869-0168, 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 P869-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P869-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P869-0168
  • 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 P869-0168 available by request