SD18-0398 Screening compound: N~1~-benzyl-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~-methylacetamide

SD18-0398 Screening compound: N~1~-benzyl-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~-methylacetamide
SD18-0398 Screening compound: N~1~-benzyl-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~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0398
N~1~-benzyl-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~-methylacetamide

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

SD18-0398

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

N~1~-benzyl-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~-methylacetamide

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(CC(C1=NN2Cc3ccccc3)OCCN1C2=O)=O

InChI

InChI=1S/C22H24N4O3/c1-24(15-17-8-4-2-5-9-17)20(27)14-19-21-23-26(16-18-10-6-3-7-11-18)22(28)25(21)12-13-29-19/h2-11,19H,12-16H2,1H3/t19-/m0/s1

InChI Key

TWBMDIVYCNLKTN-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.06

Polar Surface Area

56.541

Acid Dissociation Constant (pKa)

19.01

Base Dissociation Constant (pKb)

4.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with SD18-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0398?
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What is the minimum amount of SD18-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0398
  • 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 SD18-0398 available by request