SA31-0798 Screening compound: 3-cyclopentyl-5-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-0798 Screening compound: 3-cyclopentyl-5-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-0798 Screening compound: 3-cyclopentyl-5-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-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 SA31-0798
3-cyclopentyl-5-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-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

SA31-0798

Molecular Formula

C19H28N6O2 (C19 H28 N6 O2)

Compound Name

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

IUPAC name

3-cyclopentyl-5-methyl-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]-5H6H8H-[124]triazolo[34-c][14]oxazine-5-carboxamide

SMILES

CC1(C(NCc2c(C)n(C)nc2C)=O)n2c(C3CCCC3)nnc2COC1

InChI

InChI=1S/C19H28N6O2/c1-12-15(13(2)24(4)23-12)9-20-18(26)19(3)11-27-10-16-21-22-17(25(16)19)14-7-5-6-8-14/h14H,5-11H2,1-4H3,(H,20,26)/t19-/m0/s1

InChI Key

WQRDOLABCAVEEV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32236795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.911

Distribution Coefficient, logD

0.911

Water Solubility, LogSw

-1.27

Polar Surface Area

74.480

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

SA31-0798 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA31-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-0798?
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What is the minimum amount of SA31-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-0798
  • 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 SA31-0798 available by request