T634-0121 Screening compound: 2-(4-methylphenoxy)-1-{7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

T634-0121 Screening compound: 2-(4-methylphenoxy)-1-{7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one
T634-0121 Screening compound: 2-(4-methylphenoxy)-1-{7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0121
2-(4-methylphenoxy)-1-{7-[(morpholin-4-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

T634-0121

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCC(N1Cc(cc(CN2CCOCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C23H28N2O4/c1-18-2-5-21(6-3-18)29-17-23(26)25-10-13-28-22-7-4-19(14-20(22)16-25)15-24-8-11-27-12-9-24/h2-7,14H,8-13,15-17H2,1H3

InChI Key

WWCIERKNEKLSNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.517

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-2.65

Polar Surface Area

43.444

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

T634-0121 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0121?
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What is the minimum amount of T634-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0121
  • 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 T634-0121 available by request