T815-1349 Screening compound: 7-(2-chloro-4-fluorobenzyl)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

T815-1349 Screening compound: 7-(2-chloro-4-fluorobenzyl)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
T815-1349 Screening compound: 7-(2-chloro-4-fluorobenzyl)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound T815-1349
7-(2-chloro-4-fluorobenzyl)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

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

T815-1349

Molecular Formula

C13H14ClFN4 (C13 H14 ClFN4)

Compound Name

7-(2-chloro-4-fluorobenzyl)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

IUPAC name

n/a

SMILES

Cc1nnc2n1CCN(Cc(ccc(F)c1)c1Cl)C2

InChI

InChI=1S/C13H14ClFN4/c1-9-16-17-13-8-18(4-5-19(9)13)7-10-2-3-11(15)6-12(10)14/h2-3,6H,4-5,7-8H2,1H3

InChI Key

YTEFKOBBWVILTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.557

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-2.23

Polar Surface Area

29.454

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

T815-1349 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T815-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T815-1349?
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What is the minimum amount of T815-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T815-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T815-1349
  • 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 T815-1349 available by request