8020-2833 Screening compound: ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate

8020-2833 Screening compound: ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate
8020-2833 Screening compound: ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2833
ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate

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

8020-2833

Molecular Formula

C27H27N3O8S (C27 H27 N3 O8 S)

Compound Name

ethyl 4-({[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate

IUPAC name

ethyl 4-({[4-(2H-13-benzodioxol-5-yl)-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-5-methylfuran-2-carboxylate

SMILES

CCOC(c1cc(CSc2nnc(-c(cc3OC)cc(OC)c3OC)n2-c(cc2)cc3c2OCO3)c(C)o1)=O

InChI

InChI=1S/C27H27N3O8S/c1-6-35-26(31)23-11-17(15(2)38-23)13-39-27-29-28-25(16-9-21(32-3)24(34-5)22(10-16)33-4)30(27)18-7-8-19-20(12-18)37-14-36-19/h7-12H,6,13-14H2,1-5H3

InChI Key

MXCSJRUPOWSRDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12972465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

4.744

Water Solubility, LogSw

-4.62

Polar Surface Area

93.885

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

8020-2833 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 8020-2833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2833?
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What is the minimum amount of 8020-2833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2833
  • 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 8020-2833 available by request