P432-0879 Screening compound: 4-{5,7-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidin-4-yl}thiomorpholine

P432-0879 Screening compound: 4-{5,7-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidin-4-yl}thiomorpholine
P432-0879 Screening compound: 4-{5,7-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidin-4-yl}thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P432-0879
4-{5,7-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidin-4-yl}thiomorpholine

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

P432-0879

Molecular Formula

C21H30N6OS (C21 H30 N6 OS)

Compound Name

4-{5,7-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[2,3-d]pyrimidin-4-yl}thiomorpholine

IUPAC name

4-{57-dimethyl-2-[4-(propan-2-yl)piperazine-1-carbonyl]pyrido[23-d]pyrimidin-4-yl}thiomorpholine

SMILES

CC(C)N(CC1)CCN1C(c1nc2nc(C)cc(C)c2c(N2CCSCC2)n1)=O

InChI

InChI=1S/C21H30N6OS/c1-14(2)25-5-7-27(8-6-25)21(28)19-23-18-17(15(3)13-16(4)22-18)20(24-19)26-9-11-29-12-10-26/h13-14H,5-12H2,1-4H3

InChI Key

UUXJQEVGTOXBNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27574816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.626

Water Solubility, LogSw

-3.12

Polar Surface Area

52.171

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

P432-0879 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P432-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P432-0879?
Check Price and Availability of P432-0879, 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 P432-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P432-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P432-0879
  • 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 P432-0879 available by request