2188-2983 Screening compound: 8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-2,4-dihydro-1,3-benzodioxine

2188-2983 Screening compound: 8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-2,4-dihydro-1,3-benzodioxine
2188-2983 Screening compound: 8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-2,4-dihydro-1,3-benzodioxine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-2983
8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-2,4-dihydro-1,3-benzodioxine

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

2188-2983

Molecular Formula

C24H19BrO5 (C24 H19 BrO5)

Compound Name

8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-2,4-dihydro-1,3-benzodioxine

IUPAC name

8-{3-[2-(benzyloxy)benzoyl]oxiran-2-yl}-6-bromo-24-dihydro-13-benzodioxine

SMILES

O=C(C1OC1c1c2OCOCc2cc(Br)c1)c(cccc1)c1OCc1ccccc1

InChI

InChI=1S/C24H19BrO5/c25-17-10-16-13-27-14-29-22(16)19(11-17)23-24(30-23)21(26)18-8-4-5-9-20(18)28-12-15-6-2-1-3-7-15/h1-11,23-24H,12-14H2

InChI Key

MIXDYKIYNVFIAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00855477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.32

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

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.77

Polar Surface Area

46.362

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

2188-2983 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2188-2983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-2983?
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What is the minimum amount of 2188-2983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-2983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-2983
  • 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 2188-2983 available by request