F535-0533 Screening compound: 3-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide

F535-0533 Screening compound: 3-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide
F535-0533 Screening compound: 3-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F535-0533
3-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide

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

F535-0533

Molecular Formula

C22H29FN4O4S (C22 H29 FN4 O4 S)

Compound Name

3-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-[25-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamido]-N-[(4-fluorophenyl)methyl]propanamide

SMILES

Cc1c(C(N2CCCCC2)=O)c(S(NCCC(NCc(cc2)ccc2F)=O)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C22H29FN4O4S/c1-15-20(22(29)27-12-4-3-5-13-27)21(16(2)26-15)32(30,31)25-11-10-19(28)24-14-17-6-8-18(23)9-7-17/h6-9,25-26H,3-5,10-14H2,1-2H3,(H,24,28)

InChI Key

ZQKVJVWSUWDGMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.780

Distribution Coefficient, logD

1.779

Water Solubility, LogSw

-2.56

Polar Surface Area

93.746

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F535-0533 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F535-0533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F535-0533?
Check Price and Availability of F535-0533, 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 F535-0533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F535-0533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F535-0533
  • 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 F535-0533 available by request