F065-0500 Screening compound: ethyl 4-({2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

F065-0500 Screening compound: ethyl 4-({2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
F065-0500 Screening compound: ethyl 4-({2-[(3,4-dimethylphenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0500
ethyl 4-({2-[(3,4-dimethylphenyl)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

F065-0500

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 4-({2-[(34-dimethylphenyl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(Nc2cc(C)c(C)cc2)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C21H27N3O5S/c1-5-29-21(26)19-12-17(13-23(19)4)30(27,28)24-10-6-7-18(24)20(25)22-16-9-8-14(2)15(3)11-16/h8-9,11-13,18H,5-7,10H2,1-4H3,(H,22,25)/t18-/m0/s1

InChI Key

YHOPRZPWXJOJMP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27098273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

2.676

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-3.01

Polar Surface Area

78.941

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

F065-0500 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F065-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0500?
Check Price and Availability of F065-0500, 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 F065-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0500
  • 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 F065-0500 available by request