T640-0191 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid

T640-0191 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid
T640-0191 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound T640-0191
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propyl-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

T640-0191

Molecular Formula

C14H15N3O4 (C14 H15 N3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

CCCc1c(C(O)=O)nnn1-c(cc1)cc2c1OCCO2

InChI

InChI=1S/C14H15N3O4/c1-2-3-10-13(14(18)19)15-16-17(10)9-4-5-11-12(8-9)21-7-6-20-11/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)

InChI Key

POKFJENYHZAVJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13657962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.950

Distribution Coefficient, logD

-4.937

Water Solubility, LogSw

-1.65

Polar Surface Area

70.823

Acid Dissociation Constant (pKa)

1.51

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

T640-0191 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T640-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T640-0191?
Check Price and Availability of T640-0191, 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 T640-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T640-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T640-0191
  • 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 T640-0191 available by request