P121-0159 Screening compound: 1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea

P121-0159 Screening compound: 1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea
P121-0159 Screening compound: 1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound P121-0159
1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea

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

P121-0159

Molecular Formula

C20H24ClN5O3 (C20 H24 ClN5 O3)

Compound Name

1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea

IUPAC name

1-(1-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-12-dihydropyridin-3-yl)-3-methylurea

SMILES

CC(N(CC(N(CC1)CCN1c1cccc(Cl)c1)=O)C1=O)=CC=C1NC(NC)=O

InChI

InChI=1S/C20H24ClN5O3/c1-14-6-7-17(23-20(29)22-2)19(28)26(14)13-18(27)25-10-8-24(9-11-25)16-5-3-4-15(21)12-16/h3-7,12H,8-11,13H2,1-2H3,(H2,22,23,29)

InChI Key

HIDDDOYHUIECCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.454

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-2.63

Polar Surface Area

70.090

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P121-0159 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with P121-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P121-0159?
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What is the minimum amount of P121-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P121-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P121-0159
  • 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 P121-0159 available by request