SA31-0209 Screening compound: 5-methyl-3-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-0209 Screening compound: 5-methyl-3-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-0209 Screening compound: 5-methyl-3-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA31-0209
5-methyl-3-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-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

SA31-0209

Molecular Formula

C16H21N5O2 (C16 H21 N5 O2)

Compound Name

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

IUPAC name

5-methyl-3-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-5H6H8H-[124]triazolo[34-c][14]oxazine-5-carboxamide

SMILES

CC(C)c1nnc(COC2)n1C2(C)C(NCc1cnccc1)=O

InChI

InChI=1S/C16H21N5O2/c1-11(2)14-20-19-13-9-23-10-16(3,21(13)14)15(22)18-8-12-5-4-6-17-7-12/h4-7,11H,8-10H2,1-3H3,(H,18,22)/t16-/m0/s1

InChI Key

NMUSEUAURCSXLD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32237278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.287

Distribution Coefficient, logD

0.284

Water Solubility, LogSw

-0.73

Polar Surface Area

68.872

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA31-0209 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA31-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-0209?
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What is the minimum amount of SA31-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-0209
  • 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 SA31-0209 available by request