8013-5939 Screening compound: 2-(3,4-dimethoxyphenyl)-2,2-diphenylacetic acid

8013-5939 Screening compound: 2-(3,4-dimethoxyphenyl)-2,2-diphenylacetic acid
8013-5939 Screening compound: 2-(3,4-dimethoxyphenyl)-2,2-diphenylacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5939
2-(3,4-dimethoxyphenyl)-2,2-diphenylacetic 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

8013-5939

Molecular Formula

C22H20O4 (C22 H20 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-2,2-diphenylacetic acid

IUPAC name

2-(34-dimethoxyphenyl)-22-diphenylacetic acid

SMILES

COc(ccc(C(C(O)=O)(c1ccccc1)c1ccccc1)c1)c1OC

InChI

InChI=1S/C22H20O4/c1-25-19-14-13-18(15-20(19)26-2)22(21(23)24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15H,1-2H3,(H,23,24)

InChI Key

MASNQQWEUQCPGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

1.183

Water Solubility, LogSw

-4.39

Polar Surface Area

43.364

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

8013-5939 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-5939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5939?
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What is the minimum amount of 8013-5939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5939
  • 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 8013-5939 available by request