SA31-2554 Screening compound: 3-cyclopentyl-N-[(furan-2-yl)methyl]-5-methyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide

SA31-2554 Screening compound: 3-cyclopentyl-N-[(furan-2-yl)methyl]-5-methyl-5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazine-5-carboxamide
SA31-2554 Screening compound: 3-cyclopentyl-N-[(furan-2-yl)methyl]-5-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 SA31-2554
3-cyclopentyl-N-[(furan-2-yl)methyl]-5-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

SA31-2554

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC1(C(NCc2ccco2)=O)n2c(C3CCCC3)nnc2COC1

InChI

InChI=1S/C17H22N4O3/c1-17(16(22)18-9-13-7-4-8-24-13)11-23-10-14-19-20-15(21(14)17)12-5-2-3-6-12/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,18,22)/t17-/m0/s1

InChI Key

UANZRVFVEIXBGL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32236047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

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

1.916

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.18

Polar Surface Area

67.390

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SA31-2554 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 SA31-2554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA31-2554?
Check Price and Availability of SA31-2554, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA31-2554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA31-2554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA31-2554
  • 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 SA31-2554 available by request