T634-0501 Screening compound: 1-{7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one

T634-0501 Screening compound: 1-{7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one
T634-0501 Screening compound: 1-{7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0501
1-{7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-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

T634-0501

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

1-{7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one

IUPAC name

1-{7-[(azepan-1-yl)methyl]-2345-tetrahydro-14-benzoxazepin-4-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1Cc(cc(CN2CCCCCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C21H32N2O2/c1-17(2)13-21(24)23-11-12-25-20-8-7-18(14-19(20)16-23)15-22-9-5-3-4-6-10-22/h7-8,14,17H,3-6,9-13,15-16H2,1-2H3

InChI Key

KAUJKTCQPNBNRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-3.84

Polar Surface Area

28.639

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

T634-0501 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0501?
Check Price and Availability of T634-0501, 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 T634-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0501
  • 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 T634-0501 available by request