4100-3964 Screening compound: ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate

4100-3964 Screening compound: ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate
4100-3964 Screening compound: ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-3964
ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate

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

4100-3964

Molecular Formula

C8H10N2O4 (C8 H10 N2 O4)

Compound Name

ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate

IUPAC name

ethyl [(5-methyl-12-oxazol-3-yl)carbamoyl]formate

SMILES

CCOC(C(Nc1noc(C)c1)=O)=O

InChI

InChI=1S/C8H10N2O4/c1-3-13-8(12)7(11)9-6-4-5(2)14-10-6/h4H,3H2,1-2H3,(H,9,10,11)

InChI Key

GDURGQHLMZRDBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00102991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

198.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

-1.180

Water Solubility, LogSw

-2.19

Polar Surface Area

66.150

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

4100-3964 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4100-3964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-3964?
Check Price and Availability of 4100-3964, 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 4100-3964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-3964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-3964
  • 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 4100-3964 available by request