D296-0049 Screening compound: 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide

D296-0049 Screening compound: 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide
D296-0049 Screening compound: 1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0049
1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-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

D296-0049

Molecular Formula

C13H9F3N6O2S (C13 H9 F3 N6 O2 S)

Compound Name

1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-134-thiadiazol-2-yl]-1H-123-triazole-4-carboxamide

SMILES

COc(cc1)ccc1-n1nnc(C(Nc2nnc(C(F)(F)F)s2)=O)c1

InChI

InChI=1S/C13H9F3N6O2S/c1-24-8-4-2-7(3-5-8)22-6-9(18-21-22)10(23)17-12-20-19-11(25-12)13(14,15)16/h2-6H,1H3,(H,17,20,23)

InChI Key

RMZOIXBBQVQDCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.869

Distribution Coefficient, logD

0.144

Water Solubility, LogSw

-3.59

Polar Surface Area

80.784

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D296-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D296-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0049?
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What is the minimum amount of D296-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0049
  • 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 D296-0049 available by request