2188-3254 Screening compound: 8-formyl-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid

2188-3254 Screening compound: 8-formyl-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid
2188-3254 Screening compound: 8-formyl-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-3254
8-formyl-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid

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

2188-3254

Molecular Formula

C10H8O5 (C10 H8 O5)

Compound Name

8-formyl-2,4-dihydro-1,3-benzodioxine-6-carboxylic acid

IUPAC name

8-formyl-24-dihydro-13-benzodioxine-6-carboxylic acid

SMILES

OC(c1cc(C=O)c2OCOCc2c1)=O

InChI

InChI=1S/C10H8O5/c11-3-7-1-6(10(12)13)2-8-4-14-5-15-9(7)8/h1-3H,4-5H2,(H,12,13)

InChI Key

KEBABRDEGSDAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01235547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

-1.429

Water Solubility, LogSw

-1.51

Polar Surface Area

59.695

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

2188-3254 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2188-3254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-3254?
Check Price and Availability of 2188-3254, 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 2188-3254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-3254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-3254
  • 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 2188-3254 available by request