T640-0171 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid

T640-0171 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
T640-0171 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T640-0171
1-(2H-1,3-benzodioxol-5-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

T640-0171

Molecular Formula

C10H7N3O4 (C10 H7 N3 O4)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(2H-13-benzodioxol-5-yl)-1H-123-triazole-4-carboxylic acid

SMILES

OC(c1cn(-c(cc2)cc3c2OCO3)nn1)=O

InChI

InChI=1S/C10H7N3O4/c14-10(15)7-4-13(12-11-7)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H,14,15)

InChI Key

YUYCLVNJAVSCHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11168150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.877

Distribution Coefficient, logD

-5.314

Water Solubility, LogSw

-1.52

Polar Surface Area

72.127

Acid Dissociation Constant (pKa)

1.21

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

T640-0171 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T640-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T640-0171?
Check Price and Availability of T640-0171, 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 T640-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T640-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T640-0171
  • 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 T640-0171 available by request