T634-0670 Screening compound: 3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one

T634-0670 Screening compound: 3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one
T634-0670 Screening compound: 3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0670
3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-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

T634-0670

Molecular Formula

C19H28N2O3 (C19 H28 N2 O3)

Compound Name

3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one

IUPAC name

3-methoxy-1-{7-[(piperidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl}propan-1-one

SMILES

COCCC(N1Cc(cc(CN2CCCCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C19H28N2O3/c1-23-11-7-19(22)21-10-12-24-18-6-5-16(13-17(18)15-21)14-20-8-3-2-4-9-20/h5-6,13H,2-4,7-12,14-15H2,1H3

InChI Key

HCDQAQCBYWCTOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

0.261

Water Solubility, LogSw

-2.38

Polar Surface Area

36.650

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

T634-0670 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 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
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0670?
Check Price and Availability of T634-0670, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T634-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0670
  • 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 T634-0670 available by request