T634-0352 Screening compound: diethyl({[4-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl})amine

T634-0352 Screening compound: diethyl({[4-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl})amine
T634-0352 Screening compound: diethyl({[4-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0352
diethyl({[4-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl})amine

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

T634-0352

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

diethyl({[4-(3-methoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl})amine

IUPAC name

diethyl({[4-(3-methoxybenzoyl)-2345-tetrahydro-14-benzoxazepin-7-yl]methyl})amine

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C22H28N2O3/c1-4-23(5-2)15-17-9-10-21-19(13-17)16-24(11-12-27-21)22(25)18-7-6-8-20(14-18)26-3/h6-10,13-14H,4-5,11-12,15-16H2,1-3H3

InChI Key

MEUUCUBLITZVKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

1.442

Water Solubility, LogSw

-3.15

Polar Surface Area

35.807

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

T634-0352 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0352?
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What is the minimum amount of T634-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0352
  • 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 T634-0352 available by request