8020-6090 Screening compound: ethyl 5-({6-[((E)-2-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}hydrazono)methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-3-isoxazolecarboxylate

8020-6090 Screening compound: ethyl 5-({6-[((E)-2-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}hydrazono)methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-3-isoxazolecarboxylate
8020-6090 Screening compound: ethyl 5-({6-[((E)-2-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}hydrazono)methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-3-isoxazolecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6090
ethyl 5-({6-[((E)-2-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}hydrazono)methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-3-isoxazolecarboxylate

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

8020-6090

Molecular Formula

C31H31N5O8S (C31 H31 N5 O8 S)

Compound Name

ethyl 5-({6-[((E)-2-{[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]carbonyl}hydrazono)methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-3-isoxazolecarboxylate

IUPAC name

ethyl 5-({6-[(E)-({[46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridin-2-yl]formamido}imino)methyl]-47-dimethoxy-2H-13-benzodioxol-5-yl}methyl)-45-dihydro-12-oxazole-3-carboxylate

SMILES

CCOC(C1=NOC(Cc(c(/C=N/NC(c(sc2nc(C)cc(C)c22)c2-n2cccc2)=O)c(c2c3OCO2)OC)c3OC)C1)=O

InChI

InChI=1S/C31H31N5O8S/c1-6-41-31(38)21-13-18(44-35-21)12-19-20(25(40-5)27-26(24(19)39-4)42-15-43-27)14-32-34-29(37)28-23(36-9-7-8-10-36)22-16(2)11-17(3)33-30(22)45-28/h7-11,14,18H,6,12-13,15H2,1-5H3,(H,34,37)/t18-/m0/s1

InChI Key

LTHYKQZWLOXFJC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD26098210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.962

Distribution Coefficient, logD

5.960

Water Solubility, LogSw

-5.66

Polar Surface Area

123.973

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.26

References: we are preparing a list of scientific research reports with 8020-6090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6090?
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What is the minimum amount of 8020-6090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6090
  • 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 8020-6090 available by request