7139-8050 Screening compound: 3-methoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

7139-8050 Screening compound: 3-methoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
7139-8050 Screening compound: 3-methoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7139-8050
3-methoxy-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

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

7139-8050

Molecular Formula

C18H15N5O2S (C18 H15 N5 O2 S)

Compound Name

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

IUPAC name

3-methoxy-N-(4-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)benzamide

SMILES

Cc1nnc2sc(-c(cc3)ccc3NC(c3cc(OC)ccc3)=O)nn12

InChI

InChI=1S/C18H15N5O2S/c1-11-20-21-18-23(11)22-17(26-18)12-6-8-14(9-7-12)19-16(24)13-4-3-5-15(10-13)25-2/h3-10H,1-2H3,(H,19,24)

InChI Key

BQFADLGDQPUJPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05798511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.42

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

2.567

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.10

Polar Surface Area

65.405

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7139-8050 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7139-8050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7139-8050?
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What is the minimum amount of 7139-8050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7139-8050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7139-8050
  • 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 7139-8050 available by request