P198-0057 Screening compound: 2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-3,4-dihydropyrimidin-4-one

P198-0057 Screening compound: 2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
P198-0057 Screening compound: 2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P198-0057
2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-3,4-dihydropyrimidin-4-one

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

P198-0057

Molecular Formula

C12H19N3OS (C12 H19 N3 OS)

Compound Name

2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-3,4-dihydropyrimidin-4-one

IUPAC name

2-(propan-2-yl)-6-[(thiomorpholin-4-yl)methyl]-34-dihydropyrimidin-4-one

SMILES

CC(C)C(N1)=NC(CN2CCSCC2)=CC1=O

InChI

InChI=1S/C12H19N3OS/c1-9(2)12-13-10(7-11(16)14-12)8-15-3-5-17-6-4-15/h7,9H,3-6,8H2,1-2H3,(H,13,14,16)

InChI Key

GIGIAMRCXHWIDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27569039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.095

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-2.12

Polar Surface Area

39.301

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

P198-0057 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P198-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P198-0057?
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What is the minimum amount of P198-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P198-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P198-0057
  • 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 P198-0057 available by request