8020-6089 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

8020-6089 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
8020-6089 Screening compound: N'~2~-[(E)-1-(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6089
N'~2~-[(E)-1-(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-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

8020-6089

Molecular Formula

C35H33N5O7S (C35 H33 N5 O7 S)

Compound Name

N'~2~-[(E)-1-(4,7-dimethoxy-6-{[3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolyl]methyl}-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide

IUPAC name

N'-[(E)-(47-dimethoxy-6-{[3-(4-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl}-2H-13-benzodioxol-5-yl)methylidene]-46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carbohydrazide

SMILES

Cc1c(c(-n2cccc2)c(C(N/N=C/c(c(CC(C2)ON=C2c(cc2)ccc2OC)c(c2c3OCO2)OC)c3OC)=O)s2)c2nc(C)c1

InChI

InChI=1S/C35H33N5O7S/c1-19-14-20(2)37-35-27(19)28(40-12-6-7-13-40)33(48-35)34(41)38-36-17-25-24(29(43-4)31-32(30(25)44-5)46-18-45-31)15-23-16-26(39-47-23)21-8-10-22(42-3)11-9-21/h6-14,17,23H,15-16,18H2,1-5H3,(H,38,41)/t23-/m0/s1

InChI Key

GCXKTWWVQNNRKJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD26099117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

667.74

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

7.316

Distribution Coefficient, logD

7.314

Water Solubility, LogSw

-5.90

Polar Surface Area

110.491

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.71

References: we are preparing a list of scientific research reports with 8020-6089 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6089
  • 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 8020-6089 available by request