C066-5603 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]piperidine-4-carboxamide

C066-5603 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]piperidine-4-carboxamide
C066-5603 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5603
N-(3-chloro-4-fluorophenyl)-1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]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

C066-5603

Molecular Formula

C23H24ClFN4O (C23 H24 ClFN4 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]piperidine-4-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-[3-(25-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]piperidine-4-carboxamide

SMILES

Cc1ccc(C)n1-c1cccnc1N(CC1)CCC1C(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C23H24ClFN4O/c1-15-5-6-16(2)29(15)21-4-3-11-26-22(21)28-12-9-17(10-13-28)23(30)27-18-7-8-20(25)19(24)14-18/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,27,30)

InChI Key

LNUTWOVUMGKBGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.52

Polar Surface Area

38.351

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

9.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C066-5603 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with C066-5603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5603?
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What is the minimum amount of C066-5603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5603
  • 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 C066-5603 available by request