V004-7784 Screening compound: methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate

V004-7784 Screening compound: methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate
V004-7784 Screening compound: methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7784
methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate

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

V004-7784

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate

IUPAC name

methyl 1-(4-{3-[4-(piperidin-1-yl)phenyl]-1H-pyrazol-5-yl}benzoyl)piperidine-4-carboxylate

SMILES

COC(C(CC1)CCN1C(c(cc1)ccc1-c1cc(-c(cc2)ccc2N2CCCCC2)n[nH]1)=O)=O

InChI

InChI=1S/C28H32N4O3/c1-35-28(34)23-13-17-32(18-14-23)27(33)22-7-5-20(6-8-22)25-19-26(30-29-25)21-9-11-24(12-10-21)31-15-3-2-4-16-31/h5-12,19,23H,2-4,13-18H2,1H3,(H,29,30)

InChI Key

OYKWQFCCQWAEEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14285985

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.25

Polar Surface Area

63.731

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

V004-7784 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)

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 V004-7784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7784?
Check Price and Availability of V004-7784, 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 V004-7784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7784
  • 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 V004-7784 available by request