F065-0128 Screening compound: methyl 4-({2-[(4-cyanophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-0128 Screening compound: methyl 4-({2-[(4-cyanophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-0128 Screening compound: methyl 4-({2-[(4-cyanophenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0128
methyl 4-({2-[(4-cyanophenyl)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

F065-0128

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(C(OC)=O)cc(S(N(CCC2)C2C(Nc(cc2)ccc2C#N)=O)(=O)=O)c1

InChI

InChI=1S/C19H20N4O5S/c1-22-12-15(10-17(22)19(25)28-2)29(26,27)23-9-3-4-16(23)18(24)21-14-7-5-13(11-20)6-8-14/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,21,24)/t16-/m0/s1

InChI Key

GEVUGAHXEVIFGC-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27098183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-2.34

Polar Surface Area

96.417

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

F065-0128 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F065-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0128?
Check Price and Availability of F065-0128, 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 F065-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0128
  • 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 F065-0128 available by request