T634-0553 Screening compound: 7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0553 Screening compound: 7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0553 Screening compound: 7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0553
7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-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

T634-0553

Molecular Formula

C21H30N2O3 (C21 H30 N2 O3)

Compound Name

7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

7-[(azepan-1-yl)methyl]-4-(oxolane-2-carbonyl)-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(C1OCCC1)N1Cc(cc(CN2CCCCCC2)cc2)c2OCC1

InChI

InChI=1S/C21H30N2O3/c24-21(20-6-5-12-25-20)23-11-13-26-19-8-7-17(14-18(19)16-23)15-22-9-3-1-2-4-10-22/h7-8,14,20H,1-6,9-13,15-16H2/t20-/m0/s1

InChI Key

ORYJPVZODVBGAS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31977624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

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

2.602

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-2.78

Polar Surface Area

37.306

Acid Dissociation Constant (pKa)

20.36

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

T634-0553 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)

CNS MPO Library (28609 compounds)

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

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

References: we are preparing a list of scientific research reports with T634-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0553?
Check Price and Availability of T634-0553, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T634-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0553
  • 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 T634-0553 available by request