T634-0664 Screening compound: 3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one

T634-0664 Screening compound: 3-(4-methoxyphenyl)-1-{7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl}propan-1-one
T634-0664 Screening compound: 3-(4-methoxyphenyl)-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 T634-0664
3-(4-methoxyphenyl)-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

T634-0664

Molecular Formula

C25H32N2O3 (C25 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCC(N2Cc(cc(CN3CCCCC3)cc3)c3OCC2)=O)cc1

InChI

InChI=1S/C25H32N2O3/c1-29-23-9-5-20(6-10-23)8-12-25(28)27-15-16-30-24-11-7-21(17-22(24)19-27)18-26-13-3-2-4-14-26/h5-7,9-11,17H,2-4,8,12-16,18-19H2,1H3

InChI Key

XNMCFLCWAHMRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

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

3.989

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-4.09

Polar Surface Area

35.580

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

T634-0664 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 T634-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0664?
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What is the minimum amount of T634-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0664
  • 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 T634-0664 available by request