8018-9190 Screening compound: 3-chloro-N-(2-methoxy-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide

8018-9190 Screening compound: 3-chloro-N-(2-methoxy-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide
8018-9190 Screening compound: 3-chloro-N-(2-methoxy-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9190
3-chloro-N-(2-methoxy-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide

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

8018-9190

Molecular Formula

C20H14ClN5O2S2 (C20 H14 ClN5 O2 S2)

Compound Name

3-chloro-N-(2-methoxy-5-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(2-methoxy-5-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)-1-benzothiophene-2-carboxamide

SMILES

Cc1nnc2sc(-c(cc3)cc(NC(c(sc4c5cccc4)c5Cl)=O)c3OC)nn12

InChI

InChI=1S/C20H14ClN5O2S2/c1-10-23-24-20-26(10)25-19(30-20)11-7-8-14(28-2)13(9-11)22-18(27)17-16(21)12-5-3-4-6-15(12)29-17/h3-9H,1-2H3,(H,22,27)

InChI Key

WGIRXLONVBOKBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08087778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.79

Polar Surface Area

65.541

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-9190 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-9190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9190?
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What is the minimum amount of 8018-9190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9190
  • 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 8018-9190 available by request