SD12-0355 Screening compound: 3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(trifluoromethyl)benzyl]tetrahydro-2(1H)-pyrazinone

SD12-0355 Screening compound: 3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(trifluoromethyl)benzyl]tetrahydro-2(1H)-pyrazinone
SD12-0355 Screening compound: 3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(trifluoromethyl)benzyl]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-0355
3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(trifluoromethyl)benzyl]tetrahydro-2(1H)-pyrazinone

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

SD12-0355

Molecular Formula

C20H18F3N5O2 (C20 H18 F3 N5 O2)

Compound Name

3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[4-(trifluoromethyl)benzyl]tetrahydro-2(1H)-pyrazinone

IUPAC name

3-{[3-(pyridin-4-yl)-124-oxadiazol-5-yl]methyl}-4-{[4-(trifluoromethyl)phenyl]methyl}piperazin-2-one

SMILES

O=C1NCCN(Cc2ccc(C(F)(F)F)cc2)C1Cc1nc(-c2ccncc2)no1

InChI

InChI=1S/C20H18F3N5O2/c21-20(22,23)15-3-1-13(2-4-15)12-28-10-9-25-19(29)16(28)11-17-26-18(27-30-17)14-5-7-24-8-6-14/h1-8,16H,9-12H2,(H,25,29)/t16-/m0/s1

InChI Key

OLHXJRHWLPTGQE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-2.86

Polar Surface Area

69.187

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

SD12-0355 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SD12-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-0355?
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What is the minimum amount of SD12-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-0355
  • 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 SD12-0355 available by request