P121-0047 Screening compound: 1-(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea

P121-0047 Screening compound: 1-(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea
P121-0047 Screening compound: 1-(1-{2-[4-(2,5-dimethylphenyl)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 P121-0047
1-(1-{2-[4-(2,5-dimethylphenyl)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

P121-0047

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

1-(1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-methylurea

IUPAC name

1-(1-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-2-oxo-12-dihydropyridin-3-yl)-3-methylurea

SMILES

Cc1cc(N(CC2)CCN2C(CN(C(C)=CC=C2NC(NC)=O)C2=O)=O)c(C)cc1

InChI

InChI=1S/C22H29N5O3/c1-15-5-6-16(2)19(13-15)25-9-11-26(12-10-25)20(28)14-27-17(3)7-8-18(21(27)29)24-22(30)23-4/h5-8,13H,9-12,14H2,1-4H3,(H2,23,24,30)

InChI Key

AKSXEHSLUPHNLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

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

2.028

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.71

Polar Surface Area

69.789

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

P121-0047 in Drug Discovery

Included in Screening Libraries

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 P121-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P121-0047?
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What is the minimum amount of P121-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P121-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P121-0047
  • 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 P121-0047 available by request