T634-0093 Screening compound: 4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0093 Screening compound: 4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0093 Screening compound: 4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0093
4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

T634-0093

Molecular Formula

C22H26N2O3 (C22 H26 N2 O3)

Compound Name

4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(3-methylbenzoyl)-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1cccc(C(N2Cc(cc(CN3CCOCC3)cc3)c3OCC2)=O)c1

InChI

InChI=1S/C22H26N2O3/c1-17-3-2-4-19(13-17)22(25)24-9-12-27-21-6-5-18(14-20(21)16-24)15-23-7-10-26-11-8-23/h2-6,13-14H,7-12,15-16H2,1H3

InChI Key

GRETYJOVBCGIOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-2.53

Polar Surface Area

36.472

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

T634-0093 in Drug Discovery

Included in Screening Libraries

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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T634-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0093?
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What is the minimum amount of T634-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0093
  • 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 T634-0093 available by request