SD12-1162 Screening compound: 4-(3-methoxybenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

SD12-1162 Screening compound: 4-(3-methoxybenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone
SD12-1162 Screening compound: 4-(3-methoxybenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-1162
4-(3-methoxybenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]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

SD12-1162

Molecular Formula

C21H20N4O4 (C21 H20 N4 O4)

Compound Name

4-(3-methoxybenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

IUPAC name

4-(3-methoxybenzoyl)-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]piperazin-2-one

SMILES

COc1cccc(C(N(CCN2)C(Cc3nc(-c4ccccc4)no3)C2=O)=O)c1

InChI

InChI=1S/C21H20N4O4/c1-28-16-9-5-8-15(12-16)21(27)25-11-10-22-20(26)17(25)13-18-23-19(24-29-18)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,22,26)/t17-/m0/s1

InChI Key

LKBKTJAQOWUCLX-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-3.14

Polar Surface Area

80.052

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with SD12-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-1162?
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What is the minimum amount of SD12-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-1162
  • 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 SD12-1162 available by request