8020-5586 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

8020-5586 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
8020-5586 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5586
N'~2~-[(E)-1-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

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

8020-5586

Molecular Formula

C28H30N4O6S (C28 H30 N4 O6 S)

Compound Name

N'~2~-[(E)-1-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

IUPAC name

N'-[(E)-(47-dimethoxy-6-propyl-2H-13-benzodioxol-5-yl)methylidene]-4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbohydrazide

SMILES

CCCc(c(/C=N/NC(c(sc1nc(C)cc(COC)c11)c1-n1cccc1)=O)c(c1c2OCO1)OC)c2OC

InChI

InChI=1S/C28H30N4O6S/c1-6-9-18-19(23(36-5)25-24(22(18)35-4)37-15-38-25)13-29-31-27(33)26-21(32-10-7-8-11-32)20-17(14-34-3)12-16(2)30-28(20)39-26/h7-8,10-13H,6,9,14-15H2,1-5H3,(H,31,33)

InChI Key

BJWKQKWKROIQJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.151

Distribution Coefficient, logD

6.150

Water Solubility, LogSw

-5.67

Polar Surface Area

88.807

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.14

References: we are preparing a list of scientific research reports with 8020-5586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5586?
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What is the minimum amount of 8020-5586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5586
  • 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 8020-5586 available by request