1203-0112 Screening compound: 3-methyl-1-(4-methylphenyl)-3-phenylurea

1203-0112 Screening compound: 3-methyl-1-(4-methylphenyl)-3-phenylurea
1203-0112 Screening compound: 3-methyl-1-(4-methylphenyl)-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1203-0112
3-methyl-1-(4-methylphenyl)-3-phenylurea

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

1203-0112

Molecular Formula

C15H16N2O (C15 H16 N2 O)

Compound Name

3-methyl-1-(4-methylphenyl)-3-phenylurea

IUPAC name

3-methyl-1-(4-methylphenyl)-3-phenylurea

SMILES

Cc(cc1)ccc1NC(N(C)c1ccccc1)=O

InChI

InChI=1S/C15H16N2O/c1-12-8-10-13(11-9-12)16-15(18)17(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,16,18)

InChI Key

HBOONMYJMCXSGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.53

Polar Surface Area

24.428

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

1203-0112 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 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 1203-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1203-0112?
Check Price and Availability of 1203-0112, 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 1203-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1203-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1203-0112
  • 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 1203-0112 available by request