P578-0126 Screening compound: ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate

P578-0126 Screening compound: ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate
P578-0126 Screening compound: ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-0126
ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate

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

P578-0126

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(nc1)cn1-c1ncnc(N2CCC(C)CC2)c1)=O)=O

InChI

InChI=1S/C22H30N6O3/c1-3-31-22(30)17-6-10-27(11-7-17)21(29)18-13-28(15-25-18)20-12-19(23-14-24-20)26-8-4-16(2)5-9-26/h12-17H,3-11H2,1-2H3

InChI Key

LRJYBIAUKUUMOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.555

Distribution Coefficient, logD

3.555

Water Solubility, LogSw

-3.51

Polar Surface Area

72.068

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

P578-0126 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 P578-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-0126?
Check Price and Availability of P578-0126, 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 P578-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-0126
  • 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 P578-0126 available by request