Y040-5002 Screening compound: 1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-carboxamide

Y040-5002 Screening compound: 1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-carboxamide
Y040-5002 Screening compound: 1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5002
1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-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

Y040-5002

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-carboxamide

IUPAC name

1-{1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl}piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1N(CC(C1)C(N(CC2)CCC2C(N(CC2)CCC2C(N)=O)=O)=O)C1=O

InChI

InChI=1S/C24H32N4O4/c1-16-2-4-20(5-3-16)28-15-19(14-21(28)29)24(32)27-12-8-18(9-13-27)23(31)26-10-6-17(7-11-26)22(25)30/h2-5,17-19H,6-15H2,1H3,(H2,25,30)/t19-/m1/s1

InChI Key

NVUFUKWFEQNBDM-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08091756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-1.44

Polar Surface Area

84.344

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

Y040-5002 in Drug Discovery

Included in Screening Libraries

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

Autophagy-Targeted Library (4564 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y040-5002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5002?
Check Price and Availability of Y040-5002, 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 Y040-5002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5002
  • 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 Y040-5002 available by request