8012-6103 Screening compound: ethyl 1-(2-{[1,1'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate

8012-6103 Screening compound: ethyl 1-(2-{[1,1'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate
8012-6103 Screening compound: ethyl 1-(2-{[1,1'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6103
ethyl 1-(2-{[1,1'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-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

8012-6103

Molecular Formula

C26H25NO4 (C26 H25 NO4)

Compound Name

ethyl 1-(2-{[1,1'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 1-(2-{[11'-biphenyl]-4-yloxy}ethyl)-5-hydroxy-2-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c1c(C)n(CCOc(cc2)ccc2-c2ccccc2)c(cc2)c1cc2O)=O

InChI

InChI=1S/C26H25NO4/c1-3-30-26(29)25-18(2)27(24-14-11-21(28)17-23(24)25)15-16-31-22-12-9-20(10-13-22)19-7-5-4-6-8-19/h4-14,17,28H,3,15-16H2,1-2H3

InChI Key

CDJUGDDWFFWNEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.834

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-5.52

Polar Surface Area

46.934

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8012-6103 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8012-6103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6103?
Check Price and Availability of 8012-6103, 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 8012-6103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6103
  • 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 8012-6103 available by request