SD18-0067 Screening compound: N~1~-benzyl-N~1~-ethyl-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide

SD18-0067 Screening compound: N~1~-benzyl-N~1~-ethyl-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
SD18-0067 Screening compound: N~1~-benzyl-N~1~-ethyl-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0067
N~1~-benzyl-N~1~-ethyl-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)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

SD18-0067

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

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

IUPAC name

N-benzyl-N-ethyl-2-{3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}acetamide

SMILES

CCN(Cc1ccccc1)C(CC(C1=NN2)OCCN1C2=O)=O

InChI

InChI=1S/C16H20N4O3/c1-2-19(11-12-6-4-3-5-7-12)14(21)10-13-15-17-18-16(22)20(15)8-9-23-13/h3-7,13H,2,8-11H2,1H3,(H,18,22)/t13-/m0/s1

InChI Key

NDECNAACOCXLAR-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.199

Water Solubility, LogSw

-1.96

Polar Surface Area

64.927

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

SD18-0067 in Drug Discovery

Included in Screening Libraries

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 SD18-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0067?
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What is the minimum amount of SD18-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0067
  • 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 SD18-0067 available by request