4300-0948 Screening compound: ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate

4300-0948 Screening compound: ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate
4300-0948 Screening compound: ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0948
ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate

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

4300-0948

Molecular Formula

C23H18ClN3O2 (C23 H18 ClN3 O2)

Compound Name

ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate

IUPAC name

ethyl 3-{[2-(4-chlorophenyl)quinazolin-4-yl]amino}benzoate

SMILES

CCOC(c1cccc(Nc2nc(-c(cc3)ccc3Cl)nc3ccccc23)c1)=O

InChI

InChI=1S/C23H18ClN3O2/c1-2-29-23(28)16-6-5-7-18(14-16)25-22-19-8-3-4-9-20(19)26-21(27-22)15-10-12-17(24)13-11-15/h3-14H,2H2,1H3,(H,25,26,27)

InChI Key

WVJULKQCGBSUFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02999876

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.397

Distribution Coefficient, logD

7.339

Water Solubility, LogSw

-6.45

Polar Surface Area

48.559

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4300-0948 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4300-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0948?
Check Price and Availability of 4300-0948, 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 4300-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0948
  • 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 4300-0948 available by request