S538-0001 Screening compound: N-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

S538-0001 Screening compound: N-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
S538-0001 Screening compound: N-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0001
N-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

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

S538-0001

Molecular Formula

C13H11N5O (C13 H11 N5 O)

Compound Name

N-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

IUPAC name

N-methyl-5-(3-phenyl-124-oxadiazol-5-yl)pyrimidin-4-amine

SMILES

CNc(ncnc1)c1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C13H11N5O/c1-14-12-10(7-15-8-16-12)13-17-11(18-19-13)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,16)

InChI Key

WSTMMLHGEMLDEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.55

Polar Surface Area

63.220

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

S538-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S538-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0001?
Check Price and Availability of S538-0001, 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 S538-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0001
  • 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 S538-0001 available by request