S272-0868 Screening compound: 4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid

S272-0868 Screening compound: 4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid
S272-0868 Screening compound: 4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-0868
4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid

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

S272-0868

Molecular Formula

C14H14N4O2S (C14 H14 N4 O2 S)

Compound Name

4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid

IUPAC name

4-(pyridin-2-yl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid

SMILES

OC(c1c(-c2ncccc2)nc(N2CCSCC2)nc1)=O

InChI

InChI=1S/C14H14N4O2S/c19-13(20)10-9-16-14(18-5-7-21-8-6-18)17-12(10)11-3-1-2-4-15-11/h1-4,9H,5-8H2,(H,19,20)

InChI Key

CNYUQJOKWADWHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.619

Distribution Coefficient, logD

-0.726

Water Solubility, LogSw

-2.15

Polar Surface Area

59.666

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S272-0868 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S272-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-0868?
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What is the minimum amount of S272-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-0868
  • 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 S272-0868 available by request