SD18-0155 Screening compound: 8-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

SD18-0155 Screening compound: 8-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
SD18-0155 Screening compound: 8-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0155
8-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

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

SD18-0155

Molecular Formula

C20H27N5O3 (C20 H27 N5 O3)

Compound Name

8-{2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

IUPAC name

8-{2-[4-(23-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-3-one

SMILES

Cc1cccc(N(CC2)CCN2C(CC(C2=NN3C)OCCN2C3=O)=O)c1C

InChI

InChI=1S/C20H27N5O3/c1-14-5-4-6-16(15(14)2)23-7-9-24(10-8-23)18(26)13-17-19-21-22(3)20(27)25(19)11-12-28-17/h4-6,17H,7-13H2,1-3H3/t17-/m0/s1

InChI Key

BBQSGYUQPPCYCK-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

2.027

Water Solubility, LogSw

-2.05

Polar Surface Area

59.949

Acid Dissociation Constant (pKa)

19.01

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with SD18-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of SD18-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0155
  • 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 SD18-0155 available by request