P578-1997 Screening compound: ethyl 1-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate

P578-1997 Screening compound: ethyl 1-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate
P578-1997 Screening compound: ethyl 1-{1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-1997
ethyl 1-{1-[6-(thiomorpholin-4-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

P578-1997

Molecular Formula

C20H26N6O3S (C20 H26 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CC1)CCN1C(c(nc1)cn1-c1cc(N2CCSCC2)ncn1)=O)=O

InChI

InChI=1S/C20H26N6O3S/c1-2-29-20(28)15-3-5-25(6-4-15)19(27)16-12-26(14-23-16)18-11-17(21-13-22-18)24-7-9-30-10-8-24/h11-15H,2-10H2,1H3

InChI Key

RBQWKILGJWVKDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-2.81

Polar Surface Area

72.068

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

P578-1997 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P578-1997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-1997?
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What is the minimum amount of P578-1997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-1997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-1997
  • 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 P578-1997 available by request