T815-0380 Screening compound: 3-cyclopropyl-5-{3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}-1H-pyrazole

T815-0380 Screening compound: 3-cyclopropyl-5-{3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}-1H-pyrazole
T815-0380 Screening compound: 3-cyclopropyl-5-{3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T815-0380
3-cyclopropyl-5-{3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}-1H-pyrazole

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

T815-0380

Molecular Formula

C18H18N6O (C18 H18 N6 O)

Compound Name

3-cyclopropyl-5-{3-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl}-1H-pyrazole

IUPAC name

3-cyclopropyl-5-{3-phenyl-5H6H7H8H-[124]triazolo[43-a]pyrazine-7-carbonyl}-1H-pyrazole

SMILES

O=C(c1cc(C2CC2)n[nH]1)N1Cc2nnc(-c3ccccc3)n2CC1

InChI

InChI=1S/C18H18N6O/c25-18(15-10-14(19-20-15)12-6-7-12)23-8-9-24-16(11-23)21-22-17(24)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,19,20)

InChI Key

MJOFUJHMINLASK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.86

Polar Surface Area

64.334

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T815-0380 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Female
  • Skin
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T815-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-0380?
Check Price and Availability of T815-0380, 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 T815-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-0380
  • 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 T815-0380 available by request