T634-0958 Screening compound: N-(4-fluorophenyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

T634-0958 Screening compound: N-(4-fluorophenyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
T634-0958 Screening compound: N-(4-fluorophenyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0958
N-(4-fluorophenyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-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

T634-0958

Molecular Formula

C26H26FN3O2 (C26 H26 FN3 O2)

Compound Name

N-(4-fluorophenyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

N-(4-fluorophenyl)-7-[(1234-tetrahydroisoquinolin-2-yl)methyl]-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

O=C(Nc(cc1)ccc1F)N1Cc(cc(CN(CC2)Cc3c2cccc3)cc2)c2OCC1

InChI

InChI=1S/C26H26FN3O2/c27-23-6-8-24(9-7-23)28-26(31)30-13-14-32-25-10-5-19(15-22(25)18-30)16-29-12-11-20-3-1-2-4-21(20)17-29/h1-10,15H,11-14,16-18H2,(H,28,31)

InChI Key

RVCLRMZFCLWODI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.63

Polar Surface Area

37.046

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

T634-0958 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PI3K-Targeted Library (17255 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • 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 T634-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0958?
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What is the minimum amount of T634-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0958
  • 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 T634-0958 available by request