S538-0031 Screening compound: N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

S538-0031 Screening compound: N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
S538-0031 Screening compound: N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0031
N-cyclohexyl-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

S538-0031

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

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

IUPAC name

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

SMILES

C(CC1)CCC1Nc(ncnc1)c1-c1nc(-c2ccccc2)no1

InChI

InChI=1S/C18H19N5O/c1-3-7-13(8-4-1)16-22-18(24-23-16)15-11-19-12-20-17(15)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21)

InChI Key

DMJNTXZYBWFCGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.10

Polar Surface Area

62.524

Acid Dissociation Constant (pKa)

19.15

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S538-0031 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with S538-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0031?
Check Price and Availability of S538-0031, 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 S538-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0031
  • 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 S538-0031 available by request