8019-8942 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide

8019-8942 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide
8019-8942 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8942
2-{[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide

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

8019-8942

Molecular Formula

C23H24N4O6S (C23 H24 N4 O6 S)

Compound Name

2-{[4-(2H-1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide

IUPAC name

2-{[4-(2H-13-benzodioxol-5-yl)-5-(345-trimethoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-cyclopropylacetamide

SMILES

COc1cc(-c(n2-c(cc3)cc4c3OCO4)nnc2SCC(NC2CC2)=O)cc(OC)c1OC

InChI

InChI=1S/C23H24N4O6S/c1-29-18-8-13(9-19(30-2)21(18)31-3)22-25-26-23(34-11-20(28)24-14-4-5-14)27(22)15-6-7-16-17(10-15)33-12-32-16/h6-10,14H,4-5,11-12H2,1-3H3,(H,24,28)

InChI Key

UTZZCCJZXSXKEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.34

Polar Surface Area

89.334

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

8019-8942 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8019-8942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8942?
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What is the minimum amount of 8019-8942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8942
  • 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 8019-8942 available by request