P121-0450 Screening compound: 3-[1-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]-1-phenylurea

P121-0450 Screening compound: 3-[1-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]-1-phenylurea
P121-0450 Screening compound: 3-[1-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound P121-0450
3-[1-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]-1-phenylurea

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

P121-0450

Molecular Formula

C22H26N4O5 (C22 H26 N4 O5)

Compound Name

3-[1-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-1,2-dihydropyridin-3-yl]-1-phenylurea

IUPAC name

3-[1-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-6-methyl-2-oxo-12-dihydropyridin-3-yl]-1-phenylurea

SMILES

CC(N(CC(N(CC1)CCC11OCCO1)=O)C1=O)=CC=C1NC(Nc1ccccc1)=O

InChI

InChI=1S/C22H26N4O5/c1-16-7-8-18(24-21(29)23-17-5-3-2-4-6-17)20(28)26(16)15-19(27)25-11-9-22(10-12-25)30-13-14-31-22/h2-8H,9-15H2,1H3,(H2,23,24,29)

InChI Key

MYGLCHCIPPICCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

1.335

Water Solubility, LogSw

-2.02

Polar Surface Area

79.523

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

P121-0450 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 P121-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P121-0450?
Check Price and Availability of P121-0450, 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 P121-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P121-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P121-0450
  • 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 P121-0450 available by request