T634-0042 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0042 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0042 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0042
4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

T634-0042

Molecular Formula

C19H26N4O4S (C19 H26 N4 O4 S)

Compound Name

4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

CCn1ncc(S(N2Cc(cc(CN3CCOCC3)cc3)c3OCC2)(=O)=O)c1

InChI

InChI=1S/C19H26N4O4S/c1-2-22-15-18(12-20-22)28(24,25)23-7-10-27-19-4-3-16(11-17(19)14-23)13-21-5-8-26-9-6-21/h3-4,11-12,15H,2,5-10,13-14H2,1H3

InChI Key

SPIUUDFCPXTDBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.943

Distribution Coefficient, logD

0.866

Water Solubility, LogSw

-2.21

Polar Surface Area

66.037

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

T634-0042 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0042?
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What is the minimum amount of T634-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0042
  • 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 T634-0042 available by request