Y031-2378 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide

Y031-2378 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide
Y031-2378 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2378
N-(2H-1,3-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide

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

Y031-2378

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(2-ethylbutanamido)benzamide

SMILES

CCC(CC)C(Nc(cc1)ccc1C(Nc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C20H22N2O4/c1-3-13(4-2)19(23)21-15-7-5-14(6-8-15)20(24)22-16-9-10-17-18(11-16)26-12-25-17/h5-11,13H,3-4,12H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

BHZGRMQARAHJES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07132959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-3.84

Polar Surface Area

63.808

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y031-2378 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-2378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2378?
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What is the minimum amount of Y031-2378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2378
  • 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 Y031-2378 available by request