F065-0262 Screening compound: methyl 4-({2-[(4-ethoxyphenyl)(methyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-0262 Screening compound: methyl 4-({2-[(4-ethoxyphenyl)(methyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-0262 Screening compound: methyl 4-({2-[(4-ethoxyphenyl)(methyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0262
methyl 4-({2-[(4-ethoxyphenyl)(methyl)carbamoyl]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

F065-0262

Molecular Formula

C21H27N3O6S (C21 H27 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C)C(C(CCC1)N1S(c1cn(C)c(C(OC)=O)c1)(=O)=O)=O

InChI

InChI=1S/C21H27N3O6S/c1-5-30-16-10-8-15(9-11-16)23(3)20(25)18-7-6-12-24(18)31(27,28)17-13-19(21(26)29-4)22(2)14-17/h8-11,13-14,18H,5-7,12H2,1-4H3/t18-/m0/s1

InChI Key

OMGUPGLBMFORNT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27098217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

1.233

Water Solubility, LogSw

-2.44

Polar Surface Area

78.763

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

F065-0262 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)

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
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F065-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0262?
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What is the minimum amount of F065-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0262
  • 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 F065-0262 available by request