T640-0190 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid

T640-0190 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
T640-0190 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T640-0190
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-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

T640-0190

Molecular Formula

C13H13N3O4 (C13 H13 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1c(C(O)=O)nnn1-c(cc1)cc2c1OCCO2

InChI

InChI=1S/C13H13N3O4/c1-2-9-12(13(17)18)14-15-16(9)8-3-4-10-11(7-8)20-6-5-19-10/h3-4,7H,2,5-6H2,1H3,(H,17,18)

InChI Key

OXDRUVZOJMEZLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13657963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.426

Distribution Coefficient, logD

-5.460

Water Solubility, LogSw

-1.55

Polar Surface Area

70.823

Acid Dissociation Constant (pKa)

1.51

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

T640-0190 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Fragments Library (11262 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T640-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T640-0190?
Check Price and Availability of T640-0190, 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 T640-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T640-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T640-0190
  • 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 T640-0190 available by request