7139-8076 Screening compound: 3-fluoro-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide

7139-8076 Screening compound: 3-fluoro-N-(4-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)benzamide
7139-8076 Screening compound: 3-fluoro-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 7139-8076
3-fluoro-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

7139-8076

Molecular Formula

C17H12FN5OS (C17 H12 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H12FN5OS/c1-10-20-21-17-23(10)22-16(25-17)11-5-7-14(8-6-11)19-15(24)12-3-2-4-13(18)9-12/h2-9H,1H3,(H,19,24)

InChI Key

NZPYDWBWSLQKFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05798536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.24

Polar Surface Area

57.861

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

7139-8076 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 7139-8076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7139-8076?
Check Price and Availability of 7139-8076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7139-8076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7139-8076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7139-8076
  • 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 7139-8076 available by request