T634-0686 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[7-(piperidinomethyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

T634-0686 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[7-(piperidinomethyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone
T634-0686 Screening compound: (2,4-dimethyl-1,3-thiazol-5-yl)[7-(piperidinomethyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0686
(2,4-dimethyl-1,3-thiazol-5-yl)[7-(piperidinomethyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

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

T634-0686

Molecular Formula

C21H27N3O2S (C21 H27 N3 O2 S)

Compound Name

(2,4-dimethyl-1,3-thiazol-5-yl)[7-(piperidinomethyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

IUPAC name

4-(24-dimethyl-13-thiazole-5-carbonyl)-7-[(piperidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1c(C(N2Cc(cc(CN3CCCCC3)cc3)c3OCC2)=O)sc(C)n1

InChI

InChI=1S/C21H27N3O2S/c1-15-20(27-16(2)22-15)21(25)24-10-11-26-19-7-6-17(12-18(19)14-24)13-23-8-4-3-5-9-23/h6-7,12H,3-5,8-11,13-14H2,1-2H3

InChI Key

GLWGSXCCDPQHTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.355

Distribution Coefficient, logD

1.724

Water Solubility, LogSw

-3.39

Polar Surface Area

38.952

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

T634-0686 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0686?
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What is the minimum amount of T634-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0686
  • 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 T634-0686 available by request