8020-2799 Screening compound: 2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxylic acid

8020-2799 Screening compound: 2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxylic acid
8020-2799 Screening compound: 2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2799
2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxylic 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

8020-2799

Molecular Formula

C18H18O4 (C18 H18 O4)

Compound Name

2,2-bis(3-methoxyphenyl)-1-cyclopropanecarboxylic acid

IUPAC name

22-bis(3-methoxyphenyl)cyclopropane-1-carboxylic acid

SMILES

COc1cccc(C(C2)(C2C(O)=O)c2cc(OC)ccc2)c1

InChI

InChI=1S/C18H18O4/c1-21-14-7-3-5-12(9-14)18(11-16(18)17(19)20)13-6-4-8-15(10-13)22-2/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1

InChI Key

GOGKJGXBGKSBSG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD11983436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.313

Distribution Coefficient, logD

1.350

Water Solubility, LogSw

-3.30

Polar Surface Area

43.714

Acid Dissociation Constant (pKa)

5.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

8020-2799 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

STING Agonist Library (5895 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2799?
Check Price and Availability of 8020-2799, 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 8020-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2799
  • 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 8020-2799 available by request