F065-0455 Screening compound: ethyl 4-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

F065-0455 Screening compound: ethyl 4-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
F065-0455 Screening compound: ethyl 4-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0455
ethyl 4-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-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

F065-0455

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

ethyl 4-{[2-(2,3-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[2-(23-dihydro-1H-indole-1-carbonyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(N(CC2)c3c2cccc3)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C21H25N3O5S/c1-3-29-21(26)19-13-16(14-22(19)2)30(27,28)24-11-6-9-18(24)20(25)23-12-10-15-7-4-5-8-17(15)23/h4-5,7-8,13-14,18H,3,6,9-12H2,1-2H3/t18-/m0/s1

InChI Key

URWNREFAEYIPMI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27098253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.55

Polar Surface Area

71.529

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

F065-0455 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F065-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0455?
Check Price and Availability of F065-0455, 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 F065-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0455
  • 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 F065-0455 available by request