C066-5648 Screening compound: 1-{2,5-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine

C066-5648 Screening compound: 1-{2,5-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine
C066-5648 Screening compound: 1-{2,5-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5648
1-{2,5-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine

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

C066-5648

Molecular Formula

C27H32FN5O (C27 H32 FN5 O)

Compound Name

1-{2,5-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine

IUPAC name

1-{25-dimethyl-1-[6-(piperidin-1-yl)pyridin-3-yl]-1H-pyrrole-3-carbonyl}-4-(4-fluorophenyl)piperazine

SMILES

Cc1cc(C(N(CC2)CCN2c(cc2)ccc2F)=O)c(C)n1-c(cc1)cnc1N1CCCCC1

InChI

InChI=1S/C27H32FN5O/c1-20-18-25(27(34)32-16-14-30(15-17-32)23-8-6-22(28)7-9-23)21(2)33(20)24-10-11-26(29-19-24)31-12-4-3-5-13-31/h6-11,18-19H,3-5,12-17H2,1-2H3

InChI Key

RHBGNRRMKDNBSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.30

Polar Surface Area

34.865

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C066-5648 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5648?
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What is the minimum amount of C066-5648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5648
  • 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 C066-5648 available by request