SD18-0099 Screening compound: 2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-phenethylacetamide

SD18-0099 Screening compound: 2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-phenethylacetamide
SD18-0099 Screening compound: 2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0099
2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-phenethylacetamide

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

SD18-0099

Molecular Formula

C15H18N4O3 (C15 H18 N4 O3)

Compound Name

2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-phenethylacetamide

IUPAC name

2-{3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}-N-(2-phenylethyl)acetamide

SMILES

O=C(CC(C1=NN2)OCCN1C2=O)NCCc1ccccc1

InChI

InChI=1S/C15H18N4O3/c20-13(16-7-6-11-4-2-1-3-5-11)10-12-14-17-18-15(21)19(14)8-9-22-12/h1-5,12H,6-10H2,(H,16,20)(H,18,21)/t12-/m0/s1

InChI Key

SCFWDGNJXNNLNE-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.429

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-1.69

Polar Surface Area

73.560

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

SD18-0099 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SD18-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0099?
Check Price and Availability of SD18-0099, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SD18-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0099
  • 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 SD18-0099 available by request