8018-6758 Screening compound: 5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid

8018-6758 Screening compound: 5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid
8018-6758 Screening compound: 5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6758
5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid

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

8018-6758

Molecular Formula

C22H25ClN2O3 (C22 H25 ClN2 O3)

Compound Name

5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid

IUPAC name

5-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-5-oxopentanoic acid

SMILES

OC(CCCC(N(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C22H25ClN2O3/c23-19-11-9-18(10-12-19)22(17-5-2-1-3-6-17)25-15-13-24(14-16-25)20(26)7-4-8-21(27)28/h1-3,5-6,9-12,22H,4,7-8,13-16H2,(H,27,28)/t22-/m0/s1

InChI Key

UAIMVOOPXONAJG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08142389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

0.489

Water Solubility, LogSw

-3.60

Polar Surface Area

47.576

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

8018-6758 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Integrin Receptors Targeted library (1715 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Nervous system
  • Nervous system
Targets:
  • Others
  • Kinases
  • Others
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 8018-6758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6758?
Check Price and Availability of 8018-6758, 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 8018-6758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6758
  • 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 8018-6758 available by request