SA31-0756 Screening compound: 3-cyclopentyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-0756 Screening compound: 3-cyclopentyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-0756 Screening compound: 3-cyclopentyl-5-methyl-N-[(5-methylfuran-2-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 SA31-0756
3-cyclopentyl-5-methyl-N-[(5-methylfuran-2-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

SA31-0756

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1(C(NCc2ccc(C)o2)=O)n2c(C3CCCC3)nnc2COC1

InChI

InChI=1S/C18H24N4O3/c1-12-7-8-14(25-12)9-19-17(23)18(2)11-24-10-15-20-21-16(22(15)18)13-5-3-4-6-13/h7-8,13H,3-6,9-11H2,1-2H3,(H,19,23)/t18-/m0/s1

InChI Key

IWSYCXOKKSZUGF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32236604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

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

2.222

Distribution Coefficient, logD

2.222

Water Solubility, LogSw

-2.63

Polar Surface Area

66.904

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

SA31-0756 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 SA31-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-0756?
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What is the minimum amount of SA31-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-0756
  • 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 SA31-0756 available by request