2188-2753 Screening compound: (2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

2188-2753 Screening compound: (2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
2188-2753 Screening compound: (2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-2753
(2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

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

2188-2753

Molecular Formula

C17H13BrO4 (C17 H13 BrO4)

Compound Name

(2E)-1-(5-bromo-2-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

IUPAC name

(2E)-1-(5-bromo-2-hydroxyphenyl)-3-(23-dihydro-14-benzodioxin-6-yl)prop-2-en-1-one

SMILES

Oc(ccc(Br)c1)c1C(/C=C/c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C17H13BrO4/c18-12-3-5-15(20)13(10-12)14(19)4-1-11-2-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2

InChI Key

BFNPKUHWNIOWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01034539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.069

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-3.78

Polar Surface Area

45.585

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2188-2753 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2188-2753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-2753?
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What is the minimum amount of 2188-2753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-2753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-2753
  • 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 2188-2753 available by request