F039-0016 Screening compound: 3-(2,4-dihydroxypyrimidin-5-yl)-1-(3,4-dimethoxyphenyl)urea

F039-0016 Screening compound: 3-(2,4-dihydroxypyrimidin-5-yl)-1-(3,4-dimethoxyphenyl)urea
F039-0016 Screening compound: 3-(2,4-dihydroxypyrimidin-5-yl)-1-(3,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F039-0016
3-(2,4-dihydroxypyrimidin-5-yl)-1-(3,4-dimethoxyphenyl)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

F039-0016

Molecular Formula

C13H14N4O5 (C13 H14 N4 O5)

Compound Name

3-(2,4-dihydroxypyrimidin-5-yl)-1-(3,4-dimethoxyphenyl)urea

IUPAC name

3-(24-dihydroxypyrimidin-5-yl)-1-(34-dimethoxyphenyl)urea

SMILES

COc(ccc(NC(Nc(cnc(O)n1)c1O)=O)c1)c1OC

InChI

InChI=1S/C13H14N4O5/c1-21-9-4-3-7(5-10(9)22-2)15-13(20)16-8-6-14-12(19)17-11(8)18/h3-6H,1-2H3,(H2,15,16,20)(H2,14,17,18,19)

InChI Key

ZAARJHUWQLRJDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.394

Distribution Coefficient, logD

-0.469

Water Solubility, LogSw

-1.86

Polar Surface Area

100.058

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

F039-0016 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with F039-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F039-0016?
Check Price and Availability of F039-0016, 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 F039-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F039-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F039-0016
  • 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 F039-0016 available by request