SD18-0209 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(4-phenylpiperazino)ethyl]acetamide

SD18-0209 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(4-phenylpiperazino)ethyl]acetamide
SD18-0209 Screening compound: 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(4-phenylpiperazino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD18-0209
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N~1~-[2-(4-phenylpiperazino)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

SD18-0209

Molecular Formula

C21H30N6O3 (C21 H30 N6 O3)

Compound Name

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

IUPAC name

2-{2-ethyl-3-oxo-2H3H5H6H8H-[124]triazolo[34-c][14]oxazin-8-yl}-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide

SMILES

CCN1N=C(C(CC(NCCN(CC2)CCN2c2ccccc2)=O)OCC2)N2C1=O

InChI

InChI=1S/C21H30N6O3/c1-2-27-21(29)26-14-15-30-18(20(26)23-27)16-19(28)22-8-9-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3,(H,22,28)/t18-/m0/s1

InChI Key

LZHXQQQVXGTYGM-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.731

Distribution Coefficient, logD

0.607

Water Solubility, LogSw

-1.82

Polar Surface Area

72.198

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

SD18-0209 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 SD18-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0209?
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What is the minimum amount of SD18-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0209
  • 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 SD18-0209 available by request