8011-1036 Screening compound: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea

8011-1036 Screening compound: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea
8011-1036 Screening compound: 3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1036
3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea

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

8011-1036

Molecular Formula

C16H14ClN3O (C16 H14 ClN3 O)

Compound Name

3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea

IUPAC name

3-(3-chlorophenyl)-1-(2-cyanoethyl)-1-phenylurea

SMILES

N#CCCN(C(Nc1cccc(Cl)c1)=O)c1ccccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-4.22

Polar Surface Area

42.152

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-1036 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1036?
Check Price and Availability of 8011-1036, 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 8011-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1036
  • 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 8011-1036 available by request