S538-0976 Screening compound: 2-{4-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

S538-0976 Screening compound: 2-{4-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one
S538-0976 Screening compound: 2-{4-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S538-0976
2-{4-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-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

S538-0976

Molecular Formula

C23H27N7O2 (C23 H27 N7 O2)

Compound Name

2-{4-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-{4-[5-(3-phenyl-124-oxadiazol-5-yl)pyrimidin-4-yl]piperazin-1-yl}-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(CN(CC1)CCN1c1ncncc1-c1nc(-c2ccccc2)no1)N1CCCCC1

InChI

InChI=1S/C23H27N7O2/c31-20(29-9-5-2-6-10-29)16-28-11-13-30(14-12-28)22-19(15-24-17-25-22)23-26-21(27-32-23)18-7-3-1-4-8-18/h1,3-4,7-8,15,17H,2,5-6,9-14,16H2

InChI Key

KRKQDPBBFVPSDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.618

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-2.93

Polar Surface Area

75.243

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

S538-0976 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S538-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S538-0976?
Check Price and Availability of S538-0976, 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 S538-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S538-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S538-0976
  • 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 S538-0976 available by request