D500-0018 Screening compound: 5-[(4-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

D500-0018 Screening compound: 5-[(4-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
D500-0018 Screening compound: 5-[(4-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound D500-0018
5-[(4-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

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

D500-0018

Molecular Formula

C25H25FN4O3S (C25 H25 FN4 O3 S)

Compound Name

5-[(4-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)METHYL]-4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

IUPAC name

n/a

SMILES

CC(C(Cc(cc1)ccc1S(N(CC1)CCN1c(cc1)ccc1F)(=O)=O)=C(C)NC1=O)=C1C#N

InChI

InChI=1S/C25H25FN4O3S/c1-17-23(18(2)28-25(31)24(17)16-27)15-19-3-9-22(10-4-19)34(32,33)30-13-11-29(12-14-30)21-7-5-20(26)6-8-21/h3-10H,11-15H2,1-2H3,(H,28,31)

InChI Key

IUAREAQPHHLPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.036

Water Solubility, LogSw

-3.83

Polar Surface Area

76.524

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D500-0018 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D500-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D500-0018?
Check Price and Availability of D500-0018, 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 D500-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D500-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D500-0018
  • 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 D500-0018 available by request