SD18-0161 Screening compound: 2-(2-methyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[4-(trifluoromethoxy)benzyl]acetamide

SD18-0161 Screening compound: 2-(2-methyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[4-(trifluoromethoxy)benzyl]acetamide
SD18-0161 Screening compound: 2-(2-methyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[4-(trifluoromethoxy)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0161
2-(2-methyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[4-(trifluoromethoxy)benzyl]acetamide

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

SD18-0161

Molecular Formula

C16H17F3N4O4 (C16 H17 F3 N4 O4)

Compound Name

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

IUPAC name

2-{2-methyl-3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}-N-{[4-(trifluoromethoxy)phenyl]methyl}acetamide

SMILES

CN1N=C(C(CC(NCc(cc2)ccc2OC(F)(F)F)=O)OCC2)N2C1=O

InChI

InChI=1S/C16H17F3N4O4/c1-22-15(25)23-6-7-26-12(14(23)21-22)8-13(24)20-9-10-2-4-11(5-3-10)27-16(17,18)19/h2-5,12H,6-9H2,1H3,(H,20,24)/t12-/m0/s1

InChI Key

RMVKIVTVIBCWJR-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.871

Distribution Coefficient, logD

1.870

Water Solubility, LogSw

-2.18

Polar Surface Area

71.005

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

SD18-0161 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SD18-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0161?
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What is the minimum amount of SD18-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0161
  • 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 SD18-0161 available by request