4582-0065 Screening compound: 1-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)imino]methyl]-3-phenylurea

4582-0065 Screening compound: 1-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)imino]methyl]-3-phenylurea
4582-0065 Screening compound: 1-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)imino]methyl]-3-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0065
1-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)imino]methyl]-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

4582-0065

Molecular Formula

C24H21N7O2 (C24 H21 N7 O2)

Compound Name

1-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)imino]methyl]-3-phenylurea

IUPAC name

3-[(Z)-[(4-methylquinazolin-2-yl)amino][(phenylcarbamoyl)amino]methylidene]-1-phenylurea

SMILES

Cc1nc(N/C(/NC(Nc2ccccc2)=O)=N/C(Nc2ccccc2)=O)nc2ccccc12

InChI

InChI=1S/C24H21N7O2/c1-16-19-14-8-9-15-20(19)28-21(25-16)29-22(30-23(32)26-17-10-4-2-5-11-17)31-24(33)27-18-12-6-3-7-13-18/h2-15H,1H3,(H4,25,26,27,28,29,30,31,32,33)

InChI Key

AGXZZJOGIFNFEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03225358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-4.31

Polar Surface Area

93.129

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

4582-0065 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4582-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0065?
Check Price and Availability of 4582-0065, 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 4582-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0065
  • 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 4582-0065 available by request