SD12-0973 Screening compound: 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(3-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone

SD12-0973 Screening compound: 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(3-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone
SD12-0973 Screening compound: 1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(3-thienylcarbonyl)tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-0973
1-benzyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(3-thienylcarbonyl)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

SD12-0973

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

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

IUPAC name

1-benzyl-3-[(3-methyl-124-oxadiazol-5-yl)methyl]-4-(thiophene-3-carbonyl)piperazin-2-one

SMILES

Cc1noc(CC(C(N(Cc2ccccc2)CC2)=O)N2C(c2cscc2)=O)n1

InChI

InChI=1S/C20H20N4O3S/c1-14-21-18(27-22-14)11-17-20(26)23(12-15-5-3-2-4-6-15)8-9-24(17)19(25)16-7-10-28-13-16/h2-7,10,13,17H,8-9,11-12H2,1H3/t17-/m0/s1

InChI Key

ZSCINMIVWVCXPB-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.209

Distribution Coefficient, logD

2.209

Water Solubility, LogSw

-2.56

Polar Surface Area

64.757

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with SD12-0973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-0973?
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What is the minimum amount of SD12-0973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-0973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-0973
  • 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 SD12-0973 available by request