F533-0584 Screening compound: 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide

F533-0584 Screening compound: 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
F533-0584 Screening compound: 1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F533-0584
1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-methyl-N-(4-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

F533-0584

Molecular Formula

C26H36N4O4S (C26 H36 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N2CCCCC2)=O)c(S(N(CC2)CCC2C(N(C)c2ccc(C)cc2)=O)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C26H36N4O4S/c1-18-8-10-22(11-9-18)28(4)25(31)21-12-16-30(17-13-21)35(33,34)24-20(3)27-19(2)23(24)26(32)29-14-6-5-7-15-29/h8-11,21,27H,5-7,12-17H2,1-4H3

InChI Key

CCXWESUMQSSQCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.651

Distribution Coefficient, logD

2.651

Water Solubility, LogSw

-3.14

Polar Surface Area

74.755

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

F533-0584 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F533-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F533-0584?
Check Price and Availability of F533-0584, 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 F533-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F533-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F533-0584
  • 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 F533-0584 available by request