8004-7531 Screening compound: N-(3-chlorophenyl)-N'-(3-piperidinopropyl)urea

8004-7531 Screening compound: N-(3-chlorophenyl)-N'-(3-piperidinopropyl)urea
8004-7531 Screening compound: N-(3-chlorophenyl)-N'-(3-piperidinopropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7531
N-(3-chlorophenyl)-N'-(3-piperidinopropyl)urea

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

8004-7531

Molecular Formula

C15H22ClN3O (C15 H22 ClN3 O)

Compound Name

N-(3-chlorophenyl)-N'-(3-piperidinopropyl)urea

IUPAC name

1-(3-chlorophenyl)-3-[3-(piperidin-1-yl)propyl]urea

SMILES

O=C(NCCCN1CCCCC1)Nc1cccc(Cl)c1

InChI

InChI=1S/C15H22ClN3O/c16-13-6-4-7-14(12-13)18-15(20)17-8-5-11-19-9-2-1-3-10-19/h4,6-7,12H,1-3,5,8-11H2,(H2,17,18,20)

InChI Key

WTCHCIYARWAJAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740284

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

295.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-3.60

Polar Surface Area

37.688

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

8004-7531 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8004-7531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7531?
Check Price and Availability of 8004-7531, 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 8004-7531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7531
  • 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 8004-7531 available by request