E002-0040 Screening compound: 1-(2,3,5,6-tetrafluorophenyl)-3-(thiophen-2-yl)urea

E002-0040 Screening compound: 1-(2,3,5,6-tetrafluorophenyl)-3-(thiophen-2-yl)urea
E002-0040 Screening compound: 1-(2,3,5,6-tetrafluorophenyl)-3-(thiophen-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0040
1-(2,3,5,6-tetrafluorophenyl)-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

E002-0040

Molecular Formula

C11H6F4N2OS (C11 H6 F4 N2 OS)

Compound Name

1-(2,3,5,6-tetrafluorophenyl)-3-(thiophen-2-yl)urea

IUPAC name

1-(2356-tetrafluorophenyl)-3-(thiophen-2-yl)urea

SMILES

O=C(Nc1cccs1)Nc(c(F)c(cc1F)F)c1F

InChI

InChI=1S/C11H6F4N2OS/c12-5-4-6(13)9(15)10(8(5)14)17-11(18)16-7-2-1-3-19-7/h1-4H,(H2,16,17,18)

InChI Key

CVSFFBRFACIKQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.55

Polar Surface Area

31.638

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E002-0040 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0040?
Check Price and Availability of E002-0040, 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 E002-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0040
  • 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 E002-0040 available by request