8018-4157 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate

8018-4157 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate
8018-4157 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4157
ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate

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

8018-4157

Molecular Formula

C32H28N2O4 (C32 H28 N2 O4)

Compound Name

ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate

IUPAC name

ethyl 2-[(2E)-44-diphenyl-1234-tetrahydroquinazolin-2-ylidene]-3-(4-methoxyphenyl)-3-oxopropanoate

SMILES

CCOC(/C(/C(c(cc1)ccc1OC)=O)=C(/NC1(c2ccccc2)c2ccccc2)\Nc2c1cccc2)=O

InChI

InChI=1S/C32H28N2O4/c1-3-38-31(36)28(29(35)22-18-20-25(37-2)21-19-22)30-33-27-17-11-10-16-26(27)32(34-30,23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-21,33-34H,3H2,1-2H3

InChI Key

WQCVLIBSPMFLNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.752

Distribution Coefficient, logD

6.570

Water Solubility, LogSw

-5.78

Polar Surface Area

64.415

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-4157 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8018-4157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4157?
Check Price and Availability of 8018-4157, 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 8018-4157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4157
  • 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 8018-4157 available by request