2326-3285 Screening compound: 2-ethoxy-4-formylphenyl cyclopropanecarboxylate

2326-3285 Screening compound: 2-ethoxy-4-formylphenyl cyclopropanecarboxylate
2326-3285 Screening compound: 2-ethoxy-4-formylphenyl cyclopropanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3285
2-ethoxy-4-formylphenyl cyclopropanecarboxylate

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

2326-3285

Molecular Formula

C13H14O4 (C13 H14 O4)

Compound Name

2-ethoxy-4-formylphenyl cyclopropanecarboxylate

IUPAC name

2-ethoxy-4-formylphenyl cyclopropanecarboxylate

SMILES

CCOc(cc(C=O)cc1)c1OC(C1CC1)=O

InChI

InChI=1S/C13H14O4/c1-2-16-12-7-9(8-14)3-6-11(12)17-13(15)10-4-5-10/h3,6-8,10H,2,4-5H2,1H3

InChI Key

CYABNFVKGZBCEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.986

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-2.39

Polar Surface Area

42.596

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

2326-3285 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 2326-3285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3285?
Check Price and Availability of 2326-3285, 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 2326-3285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3285
  • 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 2326-3285 available by request