T634-0382 Screening compound: {[4-(3,4-dimethoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}diethylamine

T634-0382 Screening compound: {[4-(3,4-dimethoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}diethylamine
T634-0382 Screening compound: {[4-(3,4-dimethoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}diethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0382
{[4-(3,4-dimethoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}diethylamine

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

T634-0382

Molecular Formula

C23H30N2O4 (C23 H30 N2 O4)

Compound Name

{[4-(3,4-dimethoxybenzoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}diethylamine

IUPAC name

{[4-(34-dimethoxybenzoyl)-2345-tetrahydro-14-benzoxazepin-7-yl]methyl}diethylamine

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2C(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H30N2O4/c1-5-24(6-2)15-17-7-9-20-19(13-17)16-25(11-12-29-20)23(26)18-8-10-21(27-3)22(14-18)28-4/h7-10,13-14H,5-6,11-12,15-16H2,1-4H3

InChI Key

HSROTVQADHJKQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31972993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

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

2.758

Distribution Coefficient, logD

1.004

Water Solubility, LogSw

-2.82

Polar Surface Area

43.524

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.48

T634-0382 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Therapeutical areas:
  • Nervous system
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 T634-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0382?
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What is the minimum amount of T634-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0382
  • 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 T634-0382 available by request