T634-0061 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

T634-0061 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
T634-0061 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0061
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

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

T634-0061

Molecular Formula

C23H27N3O5 (C23 H27 N3 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCCO2)N1Cc(cc(CN2CCOCC2)cc2)c2OCC1

InChI

InChI=1S/C23H27N3O5/c27-23(24-19-2-4-21-22(14-19)31-12-11-30-21)26-7-10-29-20-3-1-17(13-18(20)16-26)15-25-5-8-28-9-6-25/h1-4,13-14H,5-12,15-16H2,(H,24,27)

InChI Key

BEOLFDLXYJTLQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31980781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-2.29

Polar Surface Area

61.116

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

T634-0061 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
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 T634-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0061?
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What is the minimum amount of T634-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0061
  • 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 T634-0061 available by request