T634-0160 Screening compound: 2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

T634-0160 Screening compound: 2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one
T634-0160 Screening compound: 2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0160
2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

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

T634-0160

Molecular Formula

C19H28N2O4 (C19 H28 N2 O4)

Compound Name

2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}ethan-1-one

IUPAC name

2-(2-methoxyethoxy)-1-{7-[(pyrrolidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl}ethan-1-one

SMILES

COCCOCC(N1Cc(cc(CN2CCCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C19H28N2O4/c1-23-10-11-24-15-19(22)21-8-9-25-18-5-4-16(12-17(18)14-21)13-20-6-2-3-7-20/h4-5,12H,2-3,6-11,13-15H2,1H3

InChI Key

VMXUNOAFKPNXRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.750

Distribution Coefficient, logD

-1.312

Water Solubility, LogSw

-1.60

Polar Surface Area

45.369

Acid Dissociation Constant (pKa)

21.53

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

T634-0160 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0160?
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What is the minimum amount of T634-0160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0160
  • 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 T634-0160 available by request