8008-1415 Screening compound: 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylic acid

8008-1415 Screening compound: 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylic acid
8008-1415 Screening compound: 1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1415
1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylic 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

8008-1415

Molecular Formula

C10H7N3O4 (C10 H7 N3 O4)

Compound Name

1-phenyl-1H-1,2,3-triazole-4,5-dicarboxylic acid

IUPAC name

1-phenyl-1H-123-triazole-45-dicarboxylic acid

SMILES

OC(c1c(C(O)=O)nnn1-c1ccccc1)=O

InChI

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

InChI Key

DDHVZJQKNVXDNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.18

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.218

Distribution Coefficient, logD

-7.285

Water Solubility, LogSw

-1.21

Polar Surface Area

82.927

Acid Dissociation Constant (pKa)

0.33

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-1415 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8008-1415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1415?
Check Price and Availability of 8008-1415, 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 8008-1415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1415
  • 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 8008-1415 available by request