T149-1310 Screening compound: 3-(pyridin-4-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid

T149-1310 Screening compound: 3-(pyridin-4-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
T149-1310 Screening compound: 3-(pyridin-4-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T149-1310
3-(pyridin-4-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid

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

T149-1310

Molecular Formula

C13H14N4O2 (C13 H14 N4 O2)

Compound Name

3-(pyridin-4-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid

IUPAC name

3-(pyridin-4-yl)-5H6H7H8H9H-[124]triazolo[43-a]azepine-5-carboxylic acid

SMILES

OC(C1n2c(-c3ccncc3)nnc2CCCC1)=O

InChI

InChI=1S/C13H14N4O2/c18-13(19)10-3-1-2-4-11-15-16-12(17(10)11)9-5-7-14-8-6-9/h5-8,10H,1-4H2,(H,18,19)/t10-/m0/s1

InChI Key

DLKSDZBYHQMIKN-JTQLQIEISA-N

MDL Number (MFCD)

MFCD28897799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.171

Distribution Coefficient, logD

-3.619

Water Solubility, LogSw

-0.64

Polar Surface Area

64.098

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

T149-1310 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T149-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T149-1310?
Check Price and Availability of T149-1310, 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 T149-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T149-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T149-1310
  • 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 T149-1310 available by request