F533-0181 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

F533-0181 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
F533-0181 Screening compound: 1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F533-0181
1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

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

F533-0181

Molecular Formula

C24H31FN4O4S (C24 H31 FN4 O4 S)

Compound Name

1-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

IUPAC name

1-{[25-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

SMILES

Cc1c(C(N2CCCC2)=O)c(S(N(CC2)CCC2C(Nc(cc2)c(C)cc2F)=O)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C24H31FN4O4S/c1-15-14-19(25)6-7-20(15)27-23(30)18-8-12-29(13-9-18)34(32,33)22-17(3)26-16(2)21(22)24(31)28-10-4-5-11-28/h6-7,14,18,26H,4-5,8-13H2,1-3H3,(H,27,30)

InChI Key

ZSEWNJLSVVNPMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.95

Polar Surface Area

82.145

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F533-0181 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F533-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F533-0181?
Check Price and Availability of F533-0181, 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 F533-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F533-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F533-0181
  • 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 F533-0181 available by request