T634-0814 Screening compound: 4-(2,5-difluorobenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0814 Screening compound: 4-(2,5-difluorobenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0814 Screening compound: 4-(2,5-difluorobenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0814
4-(2,5-difluorobenzoyl)-7-[(1,2,3,4-tetrahydroisoquinolin-2-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

T634-0814

Molecular Formula

C26H24F2N2O2 (C26 H24 F2 N2 O2)

Compound Name

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

IUPAC name

4-(25-difluorobenzoyl)-7-[(1234-tetrahydroisoquinolin-2-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c(cc(cc1)F)c1F)N1Cc(cc(CN(CC2)Cc3c2cccc3)cc2)c2OCC1

InChI

InChI=1S/C26H24F2N2O2/c27-22-6-7-24(28)23(14-22)26(31)30-11-12-32-25-8-5-18(13-21(25)17-30)15-29-10-9-19-3-1-2-4-20(19)16-29/h1-8,13-14H,9-12,15-17H2

InChI Key

JIUYUYMYJPLAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.778

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.73

Polar Surface Area

28.225

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

T634-0814 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Cardiovascular Library (22201 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)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0814?
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What is the minimum amount of T634-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0814
  • 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 T634-0814 available by request