P121-0621 Screening compound: 3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-1-(4-methylphenyl)urea

P121-0621 Screening compound: 3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-1-(4-methylphenyl)urea
P121-0621 Screening compound: 3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound P121-0621
3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-1-(4-methylphenyl)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

P121-0621

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}-1-(4-methylphenyl)urea

IUPAC name

3-{1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-12-dihydropyridin-3-yl}-1-(4-methylphenyl)urea

SMILES

CCN(CC1)CCN1C(CN(C(C)=CC=C1NC(Nc2ccc(C)cc2)=O)C1=O)=O

InChI

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

InChI Key

KXSKHCDVNJEKNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.051

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.72

Polar Surface Area

68.623

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

P121-0621 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P121-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P121-0621?
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What is the minimum amount of P121-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P121-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P121-0621
  • 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 P121-0621 available by request