SD12-0075 Screening compound: 4-(4-ethoxy-3-methoxybenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone

SD12-0075 Screening compound: 4-(4-ethoxy-3-methoxybenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone
SD12-0075 Screening compound: 4-(4-ethoxy-3-methoxybenzyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-0075
4-(4-ethoxy-3-methoxybenzyl)-3-[(3-methyl-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

SD12-0075

Molecular Formula

C18H24N4O4 (C18 H24 N4 O4)

Compound Name

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

IUPAC name

4-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(3-methyl-124-oxadiazol-5-yl)methyl]piperazin-2-one

SMILES

CCOc(ccc(CN(CCN1)C(Cc2nc(C)no2)C1=O)c1)c1OC

InChI

InChI=1S/C18H24N4O4/c1-4-25-15-6-5-13(9-16(15)24-3)11-22-8-7-19-18(23)14(22)10-17-20-12(2)21-26-17/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,19,23)/t14-/m0/s1

InChI Key

KXQMYTIAYCHFNP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.901

Distribution Coefficient, logD

0.284

Water Solubility, LogSw

-2.12

Polar Surface Area

74.483

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with SD12-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-0075?
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What is the minimum amount of SD12-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-0075
  • 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 SD12-0075 available by request