H027-0226C Screening compound: ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate

H027-0226C Screening compound: ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate
H027-0226C Screening compound: ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound H027-0226C
ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-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

H027-0226C

Molecular Formula

C27H28FN3O4 (C27 H28 FN3 O4)

Compound Name

ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate

IUPAC name

ethyl 4-[(dimethylamino)methyl]-2-[(4-fluorophenoxy)methyl]-5-hydroxy-1-methyl-6-(pyridin-3-yl)-1H-indole-3-carboxylate

SMILES

CCOC(c1c(COc(cc2)ccc2F)n(C)c(cc2-c3cnccc3)c1c(CN(C)C)c2O)=O

InChI

InChI=1S/C27H28FN3O4/c1-5-34-27(33)25-23(16-35-19-10-8-18(28)9-11-19)31(4)22-13-20(17-7-6-12-29-14-17)26(32)21(24(22)25)15-30(2)3/h6-14,32H,5,15-16H2,1-4H3

InChI Key

JVFZVTIUXOKDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214772

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-4.19

Polar Surface Area

58.625

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

H027-0226C in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with H027-0226C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H027-0226C?
Check Price and Availability of H027-0226C, 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 H027-0226C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H027-0226C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H027-0226C
  • 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 H027-0226C available by request