SD12-1155 Screening compound: 4-(2,4-difluorobenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

SD12-1155 Screening compound: 4-(2,4-difluorobenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone
SD12-1155 Screening compound: 4-(2,4-difluorobenzoyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-1155
4-(2,4-difluorobenzoyl)-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

SD12-1155

Molecular Formula

C20H16F2N4O3 (C20 H16 F2 N4 O3)

Compound Name

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

IUPAC name

4-(24-difluorobenzoyl)-3-[(3-phenyl-124-oxadiazol-5-yl)methyl]piperazin-2-one

SMILES

O=C(c(ccc(F)c1)c1F)N(CCN1)C(Cc2nc(-c3ccccc3)no2)C1=O

InChI

InChI=1S/C20H16F2N4O3/c21-13-6-7-14(15(22)10-13)20(28)26-9-8-23-19(27)16(26)11-17-24-18(25-29-17)12-4-2-1-3-5-12/h1-7,10,16H,8-9,11H2,(H,23,27)/t16-/m0/s1

InChI Key

SOHRRRVYTCGQDV-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

3.042

Water Solubility, LogSw

-3.45

Polar Surface Area

72.508

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with SD12-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-1155?
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What is the minimum amount of SD12-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-1155
  • 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 SD12-1155 available by request