V001-6129 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide

V001-6129 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide
V001-6129 Screening compound: N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6129
N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide

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

V001-6129

Molecular Formula

C28H33FN4O3 (C28 H33 FN4 O3)

Compound Name

N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide

IUPAC name

N-{4-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)Nc(cc1)cc(C(N2CCCCC2)=O)c1N(CC1)CCN1C(c1cccc(F)c1)=O

InChI

InChI=1S/C28H33FN4O3/c29-22-9-5-8-21(18-22)27(35)33-16-14-31(15-17-33)25-11-10-23(30-26(34)20-6-4-7-20)19-24(25)28(36)32-12-2-1-3-13-32/h5,8-11,18-20H,1-4,6-7,12-17H2,(H,30,34)

InChI Key

IGERETZITWHSBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14258945

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-3.55

Polar Surface Area

60.109

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

V001-6129 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V001-6129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6129?
Check Price and Availability of V001-6129, 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 V001-6129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6129
  • 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 V001-6129 available by request