8019-6588 Screening compound: (2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide

8019-6588 Screening compound: (2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide
8019-6588 Screening compound: (2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6588
(2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide

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

8019-6588

Molecular Formula

C16H18N2O5 (C16 H18 N2 O5)

Compound Name

(2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-2H-1,3-benzodioxol-5-yl)prop-2-enamide

IUPAC name

(2E)-2-cyano-3-(47-dimethoxy-6-propyl-2H-13-benzodioxol-5-yl)prop-2-enamide

SMILES

CCCc(c(/C=C(/C(N)=O)\C#N)c(c1c2OCO1)OC)c2OC

InChI

InChI=1S/C16H18N2O5/c1-4-5-10-11(6-9(7-17)16(18)19)13(21-3)15-14(12(10)20-2)22-8-23-15/h6H,4-5,8H2,1-3H3,(H2,18,19)

InChI Key

UDXBEWJHHWIUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.518

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-2.40

Polar Surface Area

83.272

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8019-6588 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-6588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6588?
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What is the minimum amount of 8019-6588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6588
  • 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 8019-6588 available by request