T634-0041 Screening compound: 4-[(2-fluorophenyl)methanesulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0041 Screening compound: 4-[(2-fluorophenyl)methanesulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0041 Screening compound: 4-[(2-fluorophenyl)methanesulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0041
4-[(2-fluorophenyl)methanesulfonyl]-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

T634-0041

Molecular Formula

C21H25FN2O4S (C21 H25 FN2 O4 S)

Compound Name

4-[(2-fluorophenyl)methanesulfonyl]-7-[(morpholin-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-[(2-fluorophenyl)methanesulfonyl]-7-[(morpholin-4-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

O=S(Cc(cccc1)c1F)(N1Cc(cc(CN2CCOCC2)cc2)c2OCC1)=O

InChI

InChI=1S/C21H25FN2O4S/c22-20-4-2-1-3-18(20)16-29(25,26)24-9-12-28-21-6-5-17(13-19(21)15-24)14-23-7-10-27-11-8-23/h1-6,13H,7-12,14-16H2

InChI Key

UNZRFQYVRITUKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.591

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-2.86

Polar Surface Area

51.429

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

T634-0041 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0041?
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What is the minimum amount of T634-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0041
  • 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 T634-0041 available by request