Y031-6030 Screening compound: N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Y031-6030 Screening compound: N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
Y031-6030 Screening compound: N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6030
N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(2,2-dimethylpropanoyl)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

Y031-6030

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

IUPAC name

N-{2-[benzyl(methyl)carbamoyl]phenyl}-1-(22-dimethylpropanoyl)piperidine-4-carboxamide

SMILES

CC(C)(C)C(N(CC1)CCC1C(Nc(cccc1)c1C(N(C)Cc1ccccc1)=O)=O)=O

InChI

InChI=1S/C26H33N3O3/c1-26(2,3)25(32)29-16-14-20(15-17-29)23(30)27-22-13-9-8-12-21(22)24(31)28(4)18-19-10-6-5-7-11-19/h5-13,20H,14-18H2,1-4H3,(H,27,30)

InChI Key

VNHYSUHUQVNZSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.579

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.67

Polar Surface Area

55.702

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

Y031-6030 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-6030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6030?
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What is the minimum amount of Y031-6030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6030
  • 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 Y031-6030 available by request