8756-0080 Screening compound: 2-methyl-1H-imidazole-4,5-dicarboxylic acid

8756-0080 Screening compound: 2-methyl-1H-imidazole-4,5-dicarboxylic acid
8756-0080 Screening compound: 2-methyl-1H-imidazole-4,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8756-0080
2-methyl-1H-imidazole-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

8756-0080

Molecular Formula

C6H6N2O4 (C6 H6 N2 O4)

Compound Name

2-methyl-1H-imidazole-4,5-dicarboxylic acid

IUPAC name

2-methyl-1H-imidazole-45-dicarboxylic acid

SMILES

Cc1nc(C(O)=O)c(C(O)=O)[nH]1

InChI

InChI=1S/C6H6N2O4/c1-2-7-3(5(9)10)4(8-2)6(11)12/h1H3,(H,7,8)(H,9,10)(H,11,12)

InChI Key

DCYCQZSHGUXYGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00126943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

170.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.008

Distribution Coefficient, logD

-5.337

Water Solubility, LogSw

-0.07

Polar Surface Area

77.798

Acid Dissociation Constant (pKa)

3.07

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8756-0080 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8756-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8756-0080?
Check Price and Availability of 8756-0080, 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 8756-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8756-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8756-0080
  • 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 8756-0080 available by request