SD18-0037 Screening compound: N~1~-{2-[4-(3-chlorophenyl)piperazino]ethyl}-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide

SD18-0037 Screening compound: N~1~-{2-[4-(3-chlorophenyl)piperazino]ethyl}-2-(3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
SD18-0037 Screening compound: N~1~-{2-[4-(3-chlorophenyl)piperazino]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 SD18-0037
N~1~-{2-[4-(3-chlorophenyl)piperazino]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

SD18-0037

Molecular Formula

C19H25ClN6O3 (C19 H25 ClN6 O3)

Compound Name

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

SMILES

O=C(CC(C1=NN2)OCCN1C2=O)NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C19H25ClN6O3/c20-14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-21-17(27)13-16-18-22-23-19(28)26(18)10-11-29-16/h1-3,12,16H,4-11,13H2,(H,21,27)(H,23,28)/t16-/m0/s1

InChI Key

MIYOYTVFVJUEQJ-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.882

Distribution Coefficient, logD

0.743

Water Solubility, LogSw

-2.43

Polar Surface Area

80.803

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SD18-0037 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 SD18-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD18-0037?
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What is the minimum amount of SD18-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD18-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD18-0037
  • 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 SD18-0037 available by request