F346-0586 Screening compound: ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-difluorophenyl)carbamoyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

F346-0586 Screening compound: ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-difluorophenyl)carbamoyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
F346-0586 Screening compound: ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-difluorophenyl)carbamoyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F346-0586
ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-difluorophenyl)carbamoyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-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

F346-0586

Molecular Formula

C25H25F2N3O5 (C25 H25 F2 N3 O5)

Compound Name

ethyl 5-({[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-difluorophenyl)carbamoyl]amino}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-({[(2H-13-benzodioxol-5-yl)methyl][(25-difluorophenyl)carbamoyl]amino}methyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CN(Cc(cc2)cc3c2OCO3)C(Nc(cc(cc2)F)c2F)=O)c1C)=O

InChI

InChI=1S/C25H25F2N3O5/c1-4-33-24(31)23-14(2)20(28-15(23)3)12-30(11-16-5-8-21-22(9-16)35-13-34-21)25(32)29-19-10-17(26)6-7-18(19)27/h5-10,28H,4,11-13H2,1-3H3,(H,29,32)

InChI Key

VWJKDSLBJWCEBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.71

Polar Surface Area

73.647

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F346-0586 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 F346-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F346-0586?
Check Price and Availability of F346-0586, 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 F346-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F346-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F346-0586
  • 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 F346-0586 available by request