S272-0136 Screening compound: 4-propyl-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid

S272-0136 Screening compound: 4-propyl-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid
S272-0136 Screening compound: 4-propyl-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S272-0136
4-propyl-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

S272-0136

Molecular Formula

C12H17N3O2S (C12 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCc(nc(N1CCSCC1)nc1)c1C(O)=O

InChI

InChI=1S/C12H17N3O2S/c1-2-3-10-9(11(16)17)8-13-12(14-10)15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H,16,17)

InChI Key

MASAECGCHIJQOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

1.002

Water Solubility, LogSw

-2.16

Polar Surface Area

51.385

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

S272-0136 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S272-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S272-0136?
Check Price and Availability of S272-0136, 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 S272-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S272-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S272-0136
  • 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 S272-0136 available by request