C200-8624 Screening compound: 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

C200-8624 Screening compound: 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
C200-8624 Screening compound: 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8624
1-(3,4-dimethylphenyl)-5-methyl-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

C200-8624

Molecular Formula

C12H13N3O2 (C12 H13 N3 O2)

Compound Name

1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

1-(34-dimethylphenyl)-5-methyl-1H-123-triazole-4-carboxylic acid

SMILES

Cc1c(C(O)=O)nnn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C12H13N3O2/c1-7-4-5-10(6-8(7)2)15-9(3)11(12(16)17)13-14-15/h4-6H,1-3H3,(H,16,17)

InChI Key

ZZNMRJYFSRJEJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08542757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

-4.202

Water Solubility, LogSw

-2.09

Polar Surface Area

55.490

Acid Dissociation Constant (pKa)

1.23

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C200-8624 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C200-8624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8624?
Check Price and Availability of C200-8624, 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 C200-8624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8624
  • 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 C200-8624 available by request