0865-0113 Screening compound: 5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

0865-0113 Screening compound: 5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
0865-0113 Screening compound: 5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-imidazole-4-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0865-0113
5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

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

0865-0113

Molecular Formula

C10H7ClN2O2 (C10 H7 ClN2 O2)

Compound Name

5-chloro-2-oxo-3-phenyl-2,3-dihydro-1H-imidazole-4-carbaldehyde

IUPAC name

5-chloro-2-oxo-3-phenyl-23-dihydro-1H-imidazole-4-carbaldehyde

SMILES

O=CC(N(C(N1)=O)c2ccccc2)=C1Cl

InChI

InChI=1S/C10H7ClN2O2/c11-9-8(6-14)13(10(15)12-9)7-4-2-1-3-5-7/h1-6H,(H,12,15)

InChI Key

WAKKAEWUOCJXJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00186932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.361

Water Solubility, LogSw

-2.41

Polar Surface Area

40.402

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0865-0113 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0865-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0865-0113?
Check Price and Availability of 0865-0113, 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 0865-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0865-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0865-0113
  • 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 0865-0113 available by request