T634-0708 Screening compound: 2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

T634-0708 Screening compound: 2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one
T634-0708 Screening compound: 2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0708
2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

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

T634-0708

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

IUPAC name

2-(4-methylphenoxy)-1-{7-[(piperidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl}ethan-1-one

SMILES

Cc(cc1)ccc1OCC(N1Cc(cc(CN2CCCCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C24H30N2O3/c1-19-5-8-22(9-6-19)29-18-24(27)26-13-14-28-23-10-7-20(15-21(23)17-26)16-25-11-3-2-4-12-25/h5-10,15H,2-4,11-14,16-18H2,1H3

InChI Key

UJJLYHSHSHJKOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31992089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

1.992

Water Solubility, LogSw

-3.53

Polar Surface Area

35.535

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

T634-0708 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0708?
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What is the minimum amount of T634-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0708
  • 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 T634-0708 available by request