T640-0197 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

T640-0197 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
T640-0197 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T640-0197
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

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

T640-0197

Molecular Formula

C16H12N4O4 (C16 H12 N4 O4)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-5-(pyridin-4-yl)-1H-123-triazole-4-carboxylic acid

SMILES

OC(c1c(-c2ccncc2)n(-c(cc2)cc3c2OCCO3)nn1)=O

InChI

InChI=1S/C16H12N4O4/c21-16(22)14-15(10-3-5-17-6-4-10)20(19-18-14)11-1-2-12-13(9-11)24-8-7-23-12/h1-6,9H,7-8H2,(H,21,22)

InChI Key

LGQKUNLVDGKXJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20748237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.129

Distribution Coefficient, logD

-5.846

Water Solubility, LogSw

-0.75

Polar Surface Area

79.499

Acid Dissociation Constant (pKa)

1.42

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

T640-0197 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

SH2 Library (10483 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T640-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T640-0197?
Check Price and Availability of T640-0197, 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 T640-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T640-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T640-0197
  • 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 T640-0197 available by request