0488-0229 Screening compound: [(E)-(3-oxobutan-2-ylidene)amino]urea

0488-0229 Screening compound: [(E)-(3-oxobutan-2-ylidene)amino]urea
0488-0229 Screening compound: [(E)-(3-oxobutan-2-ylidene)amino]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0229
[(E)-(3-oxobutan-2-ylidene)amino]urea

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

0488-0229

Molecular Formula

C5H9N3O2 (C5 H9 N3 O2)

Compound Name

[(E)-(3-oxobutan-2-ylidene)amino]urea

IUPAC name

[(E)-(3-oxobutan-2-ylidene)amino]urea

SMILES

C/C(/C(C)=O)=N\NC(N)=O

InChI

InChI=1S/C5H9N3O2/c1-3(4(2)9)7-8-5(6)10/h1-2H3,(H3,6,8,10)

InChI Key

AXGGWIRXQYZOMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00770297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

143.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.256

Distribution Coefficient, logD

-0.338

Water Solubility, LogSw

0.19

Polar Surface Area

69.910

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

0488-0229 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 0488-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0229?
Check Price and Availability of 0488-0229, 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 0488-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0229
  • 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 0488-0229 available by request