F926-0544 Screening compound: N-(4-chlorophenyl)-3-{3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-carboxamide

F926-0544 Screening compound: N-(4-chlorophenyl)-3-{3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-carboxamide
F926-0544 Screening compound: N-(4-chlorophenyl)-3-{3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F926-0544
N-(4-chlorophenyl)-3-{3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-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

F926-0544

Molecular Formula

C27H28ClN3O4 (C27 H28 ClN3 O4)

Compound Name

N-(4-chlorophenyl)-3-{3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-carboxamide

IUPAC name

N-(4-chlorophenyl)-3-{3-[(34-dimethoxyphenyl)carbamoyl]phenyl}piperidine-1-carboxamide

SMILES

COc(ccc(NC(c1cccc(C(CCC2)CN2C(Nc(cc2)ccc2Cl)=O)c1)=O)c1)c1OC

InChI

InChI=1S/C27H28ClN3O4/c1-34-24-13-12-23(16-25(24)35-2)29-26(32)19-6-3-5-18(15-19)20-7-4-14-31(17-20)27(33)30-22-10-8-21(28)9-11-22/h3,5-6,8-13,15-16,20H,4,7,14,17H2,1-2H3,(H,29,32)(H,30,33)/t20-/m0/s1

InChI Key

GBQUHVLKMLTXRK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14972482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.34

Polar Surface Area

63.721

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

F926-0544 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F926-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F926-0544?
Check Price and Availability of F926-0544, 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 F926-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F926-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F926-0544
  • 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 F926-0544 available by request