8019-6594 Screening compound: 2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

8019-6594 Screening compound: 2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
8019-6594 Screening compound: 2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6594
2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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

8019-6594

Molecular Formula

C24H28N2O6 (C24 H28 N2 O6)

Compound Name

2-amino-4-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

IUPAC name

2-amino-4-(47-dimethoxy-6-propyl-2H-13-benzodioxol-5-yl)-77-dimethyl-5-oxo-5678-tetrahydro-4H-chromene-3-carbonitrile

SMILES

CCCc(c(C1C(C#N)=C(N)OC(CC(C)(C)C2)=C1C2=O)c(c1c2OCO1)OC)c2OC

InChI

InChI=1S/C24H28N2O6/c1-6-7-12-17(20(29-5)22-21(19(12)28-4)30-11-31-22)16-13(10-25)23(26)32-15-9-24(2,3)8-14(27)18(15)16/h16H,6-9,11,26H2,1-5H3/t16-/m0/s1

InChI Key

IHCGGYYQBUIXLW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD10038789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

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

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.27

Polar Surface Area

91.520

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8019-6594 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-6594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6594?
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What is the minimum amount of 8019-6594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6594
  • 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 8019-6594 available by request