8018-4158 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-oxoheptanoate

8018-4158 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-oxoheptanoate
8018-4158 Screening compound: ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-oxoheptanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4158
ethyl 2-[(2E)-4,4-diphenyl-1,2,3,4-tetrahydroquinazolin-2-ylidene]-3-oxoheptanoate

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

8018-4158

Molecular Formula

C29H30N2O3 (C29 H30 N2 O3)

Compound Name

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

IUPAC name

ethyl 2-[(2E)-44-diphenyl-1234-tetrahydroquinazolin-2-ylidene]-3-oxoheptanoate

SMILES

CCCCC(/C(/C(OCC)=O)=C(\NC1(c2ccccc2)c2ccccc2)/Nc2c1cccc2)=O

InChI

InChI=1S/C29H30N2O3/c1-3-5-20-25(32)26(28(33)34-4-2)27-30-24-19-13-12-18-23(24)29(31-27,21-14-8-6-9-15-21)22-16-10-7-11-17-22/h6-19,30-31H,3-5,20H2,1-2H3

InChI Key

XNGRKGRQPUIADM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.633

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.83

Polar Surface Area

56.651

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

8018-4158 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8018-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4158?
Check Price and Availability of 8018-4158, 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 8018-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4158
  • 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 8018-4158 available by request