Y041-5034 Screening compound: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N3-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-methylpropyl}pyridine-3,4-dicarboxamide

Y041-5034 Screening compound: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N3-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-methylpropyl}pyridine-3,4-dicarboxamide
Y041-5034 Screening compound: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N3-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-methylpropyl}pyridine-3,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5034
N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N3-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-methylpropyl}pyridine-3,4-dicarboxamide

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

Y041-5034

Molecular Formula

C28H28N4O7 (C28 H28 N4 O7)

Compound Name

N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N3-{1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]-2-methylpropyl}pyridine-3,4-dicarboxamide

IUPAC name

N4-(23-dihydro-14-benzodioxin-6-yl)-N3-[(1S)-1-[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]-2-methylpropyl]pyridine-34-dicarboxamide

SMILES

CC(C)C(C(Nc(cc1)cc2c1OCCO2)=O)NC(c(cncc1)c1C(Nc(cc1)cc2c1OCCO2)=O)=O

InChI

InChI=1S/C28H28N4O7/c1-16(2)25(28(35)31-18-4-6-22-24(14-18)39-12-10-37-22)32-27(34)20-15-29-8-7-19(20)26(33)30-17-3-5-21-23(13-17)38-11-9-36-21/h3-8,13-16,25H,9-12H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t25-/m0/s1

InChI Key

WGKKFXXBFWUBRH-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.325

Distribution Coefficient, logD

1.312

Water Solubility, LogSw

-1.92

Polar Surface Area

111.622

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

Y041-5034 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-5034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5034?
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What is the minimum amount of Y041-5034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5034
  • 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 Y041-5034 available by request