2188-3722 Screening compound: 7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine

2188-3722 Screening compound: 7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine
2188-3722 Screening compound: 7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-3722
7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine

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

2188-3722

Molecular Formula

C25H22O5 (C25 H22 O5)

Compound Name

7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine

IUPAC name

7-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-34-dihydro-2H-15-benzodioxepine

SMILES

O=C(C1OC1c(cc1)cc2c1OCCCO2)c(cccc1)c1OCc1ccccc1

InChI

InChI=1S/C25H22O5/c26-23(19-9-4-5-10-20(19)29-16-17-7-2-1-3-8-17)25-24(30-25)18-11-12-21-22(15-18)28-14-6-13-27-21/h1-5,7-12,15,24-25H,6,13-14,16H2

InChI Key

ZIEYLJSUFBTLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00180157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.70

Polar Surface Area

45.627

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

2188-3722 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2188-3722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-3722?
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What is the minimum amount of 2188-3722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-3722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-3722
  • 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 2188-3722 available by request