F039-0015 Screening compound: 1-(2-chloro-4-methylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea

F039-0015 Screening compound: 1-(2-chloro-4-methylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea
F039-0015 Screening compound: 1-(2-chloro-4-methylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F039-0015
1-(2-chloro-4-methylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-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

F039-0015

Molecular Formula

C12H11ClN4O3 (C12 H11 ClN4 O3)

Compound Name

1-(2-chloro-4-methylphenyl)-3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)urea

IUPAC name

1-(2-chloro-4-methylphenyl)-3-(24-dioxo-1234-tetrahydropyrimidin-5-yl)urea

SMILES

Cc(cc1)cc(Cl)c1NC(NC(C(N1)=O)=CNC1=O)=O

InChI

InChI=1S/C12H11ClN4O3/c1-6-2-3-8(7(13)4-6)15-12(20)16-9-5-14-11(19)17-10(9)18/h2-5H,1H3,(H2,15,16,20)(H2,14,17,18,19)

InChI Key

KSHTUXQUSBRIDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

-0.066

Water Solubility, LogSw

-2.36

Polar Surface Area

81.579

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F039-0015 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F039-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F039-0015?
Check Price and Availability of F039-0015, 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 F039-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F039-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F039-0015
  • 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 F039-0015 available by request