T634-0322 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0322 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0322 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0322
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-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

T634-0322

Molecular Formula

C19H25N3O4S (C19 H25 N3 O4 S)

Compound Name

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-7-[(pyrrolidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

Cc1noc(C)c1S(N1Cc(cc(CN2CCCC2)cc2)c2OCC1)(=O)=O

InChI

InChI=1S/C19H25N3O4S/c1-14-19(15(2)26-20-14)27(23,24)22-9-10-25-18-6-5-16(11-17(18)13-22)12-21-7-3-4-8-21/h5-6,11H,3-4,7-10,12-13H2,1-2H3

InChI Key

XSEFRYWCKSYAHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-2.55

Polar Surface Area

66.030

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

T634-0322 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • Hemic and lymphatic
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T634-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0322?
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What is the minimum amount of T634-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0322
  • 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 T634-0322 available by request