SD18-0395 Screening compound: 2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(2-methoxyphenoxy)ethyl]acetamide

SD18-0395 Screening compound: 2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(2-methoxyphenoxy)ethyl]acetamide
SD18-0395 Screening compound: 2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(2-methoxyphenoxy)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0395
2-(2-benzyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(2-methoxyphenoxy)ethyl]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

SD18-0395

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1OCCNC(CC(C1=NN2Cc3ccccc3)OCCN1C2=O)=O

InChI

InChI=1S/C23H26N4O5/c1-30-18-9-5-6-10-19(18)31-13-11-24-21(28)15-20-22-25-27(16-17-7-3-2-4-8-17)23(29)26(22)12-14-32-20/h2-10,20H,11-16H2,1H3,(H,24,28)/t20-/m0/s1

InChI Key

BQDFHTUHSQRHTQ-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.171

Water Solubility, LogSw

-2.59

Polar Surface Area

80.094

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with SD18-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0395?
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What is the minimum amount of SD18-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0395
  • 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 SD18-0395 available by request