D179-0068 Screening compound: 1-(3-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea

D179-0068 Screening compound: 1-(3-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea
D179-0068 Screening compound: 1-(3-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0068
1-(3-chlorophenyl)-3-(4,6-dimethylpyrimidin-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

D179-0068

Molecular Formula

C13H13ClN4O (C13 H13 ClN4 O)

Compound Name

1-(3-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)urea

IUPAC name

1-(3-chlorophenyl)-3-(46-dimethylpyrimidin-2-yl)urea

SMILES

Cc1nc(NC(Nc2cccc(Cl)c2)=O)nc(C)c1

InChI

InChI=1S/C13H13ClN4O/c1-8-6-9(2)16-12(15-8)18-13(19)17-11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H2,15,16,17,18,19)

InChI Key

ZECQSRHQJFVFON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00436885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.73

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-3.77

Polar Surface Area

51.860

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D179-0068 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Structure:
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D179-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0068?
Check Price and Availability of D179-0068, 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 D179-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0068
  • 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 D179-0068 available by request