T634-0336 Screening compound: 1-{7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one

T634-0336 Screening compound: 1-{7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one
T634-0336 Screening compound: 1-{7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}-3-methylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0336
1-{7-[(diethylamino)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

T634-0336

Molecular Formula

C19H30N2O2 (C19 H30 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2C(CC(C)C)=O

InChI

InChI=1S/C19H30N2O2/c1-5-20(6-2)13-16-7-8-18-17(12-16)14-21(9-10-23-18)19(22)11-15(3)4/h7-8,12,15H,5-6,9-11,13-14H2,1-4H3

InChI Key

SUWGWIDHAMQZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-3.18

Polar Surface Area

28.008

Acid Dissociation Constant (pKa)

24.23

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

T634-0336 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 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
  • Nervous system
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0336?
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What is the minimum amount of T634-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0336
  • 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 T634-0336 available by request