SA31-0292 Screening compound: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-0292 Screening compound: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-0292 Screening compound: N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA31-0292
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

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

SA31-0292

Molecular Formula

C16H23N5O3 (C16 H23 N5 O3)

Compound Name

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

IUPAC name

N-[(35-dimethyl-12-oxazol-4-yl)methyl]-5-methyl-3-(propan-2-yl)-5H6H8H-[124]triazolo[34-c][14]oxazine-5-carboxamide

SMILES

CC(C)c1nnc(COC2)n1C2(C)C(NCc1c(C)onc1C)=O

InChI

InChI=1S/C16H23N5O3/c1-9(2)14-19-18-13-7-23-8-16(5,21(13)14)15(22)17-6-12-10(3)20-24-11(12)4/h9H,6-8H2,1-5H3,(H,17,22)/t16-/m0/s1

InChI Key

BEEVDPKETCZHGK-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32236133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.860

Distribution Coefficient, logD

0.859

Water Solubility, LogSw

-1.27

Polar Surface Area

81.393

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

SA31-0292 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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 SA31-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-0292?
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What is the minimum amount of SA31-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-0292
  • 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 SA31-0292 available by request