T149-1013 Screening compound: 4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}morpholine

T149-1013 Screening compound: 4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}morpholine
T149-1013 Screening compound: 4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound T149-1013
4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}morpholine

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

T149-1013

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}morpholine

IUPAC name

4-{3-phenyl-5H6H7H8H9H-[124]triazolo[43-a]azepine-5-carbonyl}morpholine

SMILES

O=C(C1n2c(-c3ccccc3)nnc2CCCC1)N1CCOCC1

InChI

InChI=1S/C18H22N4O2/c23-18(21-10-12-24-13-11-21)15-8-4-5-9-16-19-20-17(22(15)16)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/t15-/m0/s1

InChI Key

BBRNYFODRNJSKO-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31978580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.401

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-1.72

Polar Surface Area

50.819

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T149-1013 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T149-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T149-1013?
Check Price and Availability of T149-1013, 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 T149-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T149-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T149-1013
  • 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 T149-1013 available by request