D012-0076 Screening compound: dimethyl-1,2-oxazole-4-carboxylic acid

D012-0076 Screening compound: dimethyl-1,2-oxazole-4-carboxylic acid
D012-0076 Screening compound: dimethyl-1,2-oxazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0076
dimethyl-1,2-oxazole-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

D012-0076

Molecular Formula

C6H7NO3 (C6 H7 NO3)

Compound Name

dimethyl-1,2-oxazole-4-carboxylic acid

IUPAC name

dimethyl-12-oxazole-4-carboxylic acid

SMILES

Cc1noc(C)c1C(O)=O

InChI

InChI=1S/C6H7NO3/c1-3-5(6(8)9)4(2)10-7-3/h1-2H3,(H,8,9)

InChI Key

IJEUISLJVBUNRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

141.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.506

Distribution Coefficient, logD

-3.513

Water Solubility, LogSw

-0.01

Polar Surface Area

50.685

Acid Dissociation Constant (pKa)

3.38

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D012-0076 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D012-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0076?
Check Price and Availability of D012-0076, 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 D012-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0076
  • 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 D012-0076 available by request