E002-0014 Screening compound: 1-(2-cyanophenyl)-3-(thiophen-2-yl)urea

E002-0014 Screening compound: 1-(2-cyanophenyl)-3-(thiophen-2-yl)urea
E002-0014 Screening compound: 1-(2-cyanophenyl)-3-(thiophen-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0014
1-(2-cyanophenyl)-3-(thiophen-2-yl)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

E002-0014

Molecular Formula

C12H9N3OS (C12 H9 N3 OS)

Compound Name

1-(2-cyanophenyl)-3-(thiophen-2-yl)urea

IUPAC name

1-(2-cyanophenyl)-3-(thiophen-2-yl)urea

SMILES

N#Cc(cccc1)c1NC(Nc1cccs1)=O

InChI

InChI=1S/C12H9N3OS/c13-8-9-4-1-2-5-10(9)14-12(16)15-11-6-3-7-17-11/h1-7H,(H2,14,15,16)

InChI Key

MYUGZUAHSOWGTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-3.29

Polar Surface Area

49.392

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E002-0014 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E002-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0014?
Check Price and Availability of E002-0014, 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 E002-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0014
  • 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 E002-0014 available by request