F533-0466 Screening compound: 1-(1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carbonyl)-4-phenylpiperazine

F533-0466 Screening compound: 1-(1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carbonyl)-4-phenylpiperazine
F533-0466 Screening compound: 1-(1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carbonyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F533-0466
1-(1-{[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carbonyl)-4-phenylpiperazine

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

F533-0466

Molecular Formula

C28H39N5O4S (C28 H39 N5 O4 S)

Compound Name

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

IUPAC name

1-(1-{[25-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carbonyl)-4-phenylpiperazine

SMILES

Cc1c(C(N2CCCCC2)=O)c(S(N(CC2)CCC2C(N(CC2)CCN2c2ccccc2)=O)(=O)=O)c(C)[nH]1

InChI

InChI=1S/C28H39N5O4S/c1-21-25(28(35)31-13-7-4-8-14-31)26(22(2)29-21)38(36,37)33-15-11-23(12-16-33)27(34)32-19-17-30(18-20-32)24-9-5-3-6-10-24/h3,5-6,9-10,23,29H,4,7-8,11-20H2,1-2H3

InChI Key

KMBDHPPFSPCKRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.570

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-2.81

Polar Surface Area

79.294

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F533-0466 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F533-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F533-0466?
Check Price and Availability of F533-0466, 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 F533-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F533-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F533-0466
  • 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 F533-0466 available by request