F065-0435 Screening compound: ethyl 4-{[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

F065-0435 Screening compound: ethyl 4-{[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
F065-0435 Screening compound: ethyl 4-{[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0435
ethyl 4-{[2-(cyclopentylcarbamoyl)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

F065-0435

Molecular Formula

C18H27N3O5S (C18 H27 N3 O5 S)

Compound Name

ethyl 4-{[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(NC2CCCC2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C18H27N3O5S/c1-3-26-18(23)16-11-14(12-20(16)2)27(24,25)21-10-6-9-15(21)17(22)19-13-7-4-5-8-13/h11-13,15H,3-10H2,1-2H3,(H,19,22)/t15-/m0/s1

InChI Key

BLQCSJJDYOWZKQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27098242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-2.26

Polar Surface Area

80.354

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

F065-0435 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F065-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0435?
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What is the minimum amount of F065-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0435
  • 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 F065-0435 available by request