8019-4358 Screening compound: 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile

8019-4358 Screening compound: 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile
8019-4358 Screening compound: 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4358
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile

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

8019-4358

Molecular Formula

C13H15NO5 (C13 H15 NO5)

Compound Name

4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxybutanenitrile

IUPAC name

4-(47-dimethoxy-2H-13-benzodioxol-5-yl)-3-hydroxybutanenitrile

SMILES

COc(cc1CC(CC#N)O)c2OCOc2c1OC

InChI

InChI=1S/C13H15NO5/c1-16-10-6-8(5-9(15)3-4-14)11(17-2)13-12(10)18-7-19-13/h6,9,15H,3,5,7H2,1-2H3/t9-/m1/s1

InChI Key

ZLRZVVQFYFJUNH-SECBINFHSA-N

MDL Number (MFCD)

MFCD10037804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.132

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-1.54

Polar Surface Area

66.181

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

8019-4358 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4358?
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What is the minimum amount of 8019-4358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4358
  • 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 8019-4358 available by request