F065-0553 Screening compound: ethyl 4-({2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-0553 Screening compound: ethyl 4-({2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-0553 Screening compound: ethyl 4-({2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0553
ethyl 4-({2-[(3-chloro-4-fluorophenyl)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

F065-0553

Molecular Formula

C19H21ClFN3O5S (C19 H21 ClFN3 O5 S)

Compound Name

ethyl 4-({2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-({2-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(Nc(cc2)cc(Cl)c2F)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C19H21ClFN3O5S/c1-3-29-19(26)17-10-13(11-23(17)2)30(27,28)24-8-4-5-16(24)18(25)22-12-6-7-15(21)14(20)9-12/h6-7,9-11,16H,3-5,8H2,1-2H3,(H,22,25)/t16-/m0/s1

InChI Key

TVJVRVZGFNGGKH-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27098298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

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

2.419

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-3.44

Polar Surface Area

78.941

Acid Dissociation Constant (pKa)

7.70

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

F065-0553 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F065-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0553?
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What is the minimum amount of F065-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0553
  • 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 F065-0553 available by request