S437-0091 Screening compound: 4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

S437-0091 Screening compound: 4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
S437-0091 Screening compound: 4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S437-0091
4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-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

S437-0091

Molecular Formula

C17H17N5O3 (C17 H17 N5 O3)

Compound Name

4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide

IUPAC name

4-oxo-N-[(oxolan-2-yl)methyl]-6-phenyl-4H5H-[123]triazolo[15-a]pyrazine-3-carboxamide

SMILES

O=C(c1c(C(NC(c2ccccc2)=C2)=O)n2nn1)NCC1OCCC1

InChI

InChI=1S/C17H17N5O3/c23-16(18-9-12-7-4-8-25-12)14-15-17(24)19-13(10-22(15)21-20-14)11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,18,23)(H,19,24)/t12-/m1/s1

InChI Key

BHBXYSKKVYSMHS-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29005875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.156

Distribution Coefficient, logD

-1.402

Water Solubility, LogSw

-1.88

Polar Surface Area

83.855

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

S437-0091 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with S437-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-0091?
Check Price and Availability of S437-0091, 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 S437-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-0091
  • 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 S437-0091 available by request