SD12-1149 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2,4,5-trimethoxybenzyl)tetrahydro-2(1H)-pyrazinone

SD12-1149 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2,4,5-trimethoxybenzyl)tetrahydro-2(1H)-pyrazinone
SD12-1149 Screening compound: 3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2,4,5-trimethoxybenzyl)tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-1149
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2,4,5-trimethoxybenzyl)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

SD12-1149

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

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

IUPAC name

3-[(3-phenyl-124-oxadiazol-5-yl)methyl]-4-[(245-trimethoxyphenyl)methyl]piperazin-2-one

SMILES

COc(cc1OC)c(CN(CCN2)C(Cc3nc(-c4ccccc4)no3)C2=O)cc1OC

InChI

InChI=1S/C23H26N4O5/c1-29-18-13-20(31-3)19(30-2)11-16(18)14-27-10-9-24-23(28)17(27)12-21-25-22(26-32-21)15-7-5-4-6-8-15/h4-8,11,13,17H,9-10,12,14H2,1-3H3,(H,24,28)/t17-/m0/s1

InChI Key

NPYDRZLQZBTKEO-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.695

Distribution Coefficient, logD

2.413

Water Solubility, LogSw

-3.24

Polar Surface Area

82.650

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with SD12-1149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-1149?
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What is the minimum amount of SD12-1149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-1149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-1149
  • 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 SD12-1149 available by request