3329-4069 Screening compound: ethyl 5-(2,6-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

3329-4069 Screening compound: ethyl 5-(2,6-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate
3329-4069 Screening compound: ethyl 5-(2,6-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3329-4069
ethyl 5-(2,6-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

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

3329-4069

Molecular Formula

C25H19F2NO4 (C25 H19 F2 NO4)

Compound Name

ethyl 5-(2,6-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

IUPAC name

ethyl 5-(26-difluorobenzoyloxy)-2-methyl-1-phenyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2ccc(OC(c(c(F)ccc3)c3F)=O)c1)c(C)n2-c1ccccc1)=O

InChI

InChI=1S/C25H19F2NO4/c1-3-31-24(29)22-15(2)28(16-8-5-4-6-9-16)21-13-12-17(14-18(21)22)32-25(30)23-19(26)10-7-11-20(23)27/h4-14H,3H2,1-2H3

InChI Key

ORKMKNUXGNFZGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04409158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.28

Polar Surface Area

43.314

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

3329-4069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3329-4069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3329-4069?
Check Price and Availability of 3329-4069, 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 3329-4069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3329-4069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3329-4069
  • 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 3329-4069 available by request