V028-7890 Screening compound: 4-[1-(3-METHYLBUTANAMIDO)-2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-N-(4-METHYLPHENYL)PIPERIDINE-1-CARBOXAMIDE

V028-7890 Screening compound: 4-[1-(3-METHYLBUTANAMIDO)-2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-N-(4-METHYLPHENYL)PIPERIDINE-1-CARBOXAMIDE
V028-7890 Screening compound: 4-[1-(3-METHYLBUTANAMIDO)-2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-N-(4-METHYLPHENYL)PIPERIDINE-1-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7890
4-[1-(3-METHYLBUTANAMIDO)-2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-N-(4-METHYLPHENYL)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

V028-7890

Molecular Formula

C25H38N4O3 (C25 H38 N4 O3)

Compound Name

4-[1-(3-METHYLBUTANAMIDO)-2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-N-(4-METHYLPHENYL)PIPERIDINE-1-CARBOXAMIDE

IUPAC name

4-[1-(3-methylbutanamido)-2-oxo-2-(piperidin-1-yl)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide

SMILES

CC(C)CC(NC(C(CC1)CCN1C(Nc1ccc(C)cc1)=O)C(N1CCCCC1)=O)=O

InChI

InChI=1S/C25H38N4O3/c1-18(2)17-22(30)27-23(24(31)28-13-5-4-6-14-28)20-11-15-29(16-12-20)25(32)26-21-9-7-19(3)8-10-21/h7-10,18,20,23H,4-6,11-17H2,1-3H3,(H,26,32)(H,27,30)/t23-/m0/s1

InChI Key

IJKLRBQVPYOFSC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19887957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.690

Distribution Coefficient, logD

3.690

Water Solubility, LogSw

-3.87

Polar Surface Area

66.179

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

V028-7890 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V028-7890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7890?
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What is the minimum amount of V028-7890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7890
  • 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 V028-7890 available by request