T634-0897 Screening compound: 7-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL PROPYL SULFONE

T634-0897 Screening compound: 7-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL PROPYL SULFONE
T634-0897 Screening compound: 7-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL PROPYL SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0897
7-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL PROPYL SULFONE

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

T634-0897

Molecular Formula

C22H28N2O3S (C22 H28 N2 O3 S)

Compound Name

7-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)-YL PROPYL SULFONE

IUPAC name

4-(propane-1-sulfonyl)-7-[(1234-tetrahydroisoquinolin-2-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

CCCS(N1Cc(cc(CN(CC2)Cc3c2cccc3)cc2)c2OCC1)(=O)=O

InChI

InChI=1S/C22H28N2O3S/c1-2-13-28(25,26)24-11-12-27-22-8-7-18(14-21(22)17-24)15-23-10-9-19-5-3-4-6-20(19)16-23/h3-8,14H,2,9-13,15-17H2,1H3

InChI Key

CDLYVMLTHJKXRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.60

Polar Surface Area

43.454

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

T634-0897 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T634-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0897?
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What is the minimum amount of T634-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0897
  • 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 T634-0897 available by request