6149-0090 Screening compound: ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxylate

6149-0090 Screening compound: ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxylate
6149-0090 Screening compound: ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6149-0090
ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)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

6149-0090

Molecular Formula

C24H20F3NO4 (C24 H20 F3 NO4)

Compound Name

ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxylate

IUPAC name

ethyl 1-[(furan-2-yl)methyl]-5-hydroxy-2-methyl-6-[3-(trifluoromethyl)phenyl]-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(C)n(Cc3ccco3)c1cc(-c1cccc(C(F)(F)F)c1)c2O)=O

InChI

InChI=1S/C24H20F3NO4/c1-3-31-23(30)22-14(2)28(13-17-8-5-9-32-17)20-11-18(21(29)12-19(20)22)15-6-4-7-16(10-15)24(25,26)27/h4-12,29H,3,13H2,1-2H3

InChI Key

IJHPDBXICIFLJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07429056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.227

Distribution Coefficient, logD

6.227

Water Solubility, LogSw

-5.58

Polar Surface Area

46.218

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

6149-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6149-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6149-0090?
Check Price and Availability of 6149-0090, 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 6149-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6149-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6149-0090
  • 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 6149-0090 available by request