T149-0953 Screening compound: 1-methyl-4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}-1,4-diazepane

T149-0953 Screening compound: 1-methyl-4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}-1,4-diazepane
T149-0953 Screening compound: 1-methyl-4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T149-0953
1-methyl-4-{3-phenyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepine-5-carbonyl}-1,4-diazepane

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

T149-0953

Molecular Formula

C20H27N5O (C20 H27 N5 O)

Compound Name

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

IUPAC name

1-methyl-4-{3-phenyl-5H6H7H8H9H-[124]triazolo[43-a]azepine-5-carbonyl}-14-diazepane

SMILES

CN(CCC1)CCN1C(C1n2c(-c3ccccc3)nnc2CCCC1)=O

InChI

InChI=1S/C20H27N5O/c1-23-12-7-13-24(15-14-23)20(26)17-10-5-6-11-18-21-22-19(25(17)18)16-8-3-2-4-9-16/h2-4,8-9,17H,5-7,10-15H2,1H3/t17-/m0/s1

InChI Key

POVQFTRJKYREIZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31994771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

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

1.592

Distribution Coefficient, logD

0.347

Water Solubility, LogSw

-1.80

Polar Surface Area

46.718

Acid Dissociation Constant (pKa)

10.93

Base Dissociation Constant (pKb)

8.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

T149-0953 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS BBB Library (22607 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
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T149-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T149-0953?
Check Price and Availability of T149-0953, 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 T149-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T149-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T149-0953
  • 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 T149-0953 available by request