3118-0367 Screening compound: ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)benzoate

3118-0367 Screening compound: ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)benzoate
3118-0367 Screening compound: ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0367
ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)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

3118-0367

Molecular Formula

C35H30N2O5 (C35 H30 N2 O5)

Compound Name

ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)benzoate

IUPAC name

ethyl 2-({2-methoxy-5-[3-(naphthalen-1-yl)-4-oxo-1234-tetrahydroquinazolin-2-yl]phenyl}methoxy)benzoate

SMILES

CCOC(c(cccc1)c1OCc(cc(C(Nc1c2cccc1)N(c1cccc3ccccc13)C2=O)cc1)c1OC)=O

InChI

InChI=1S/C35H30N2O5/c1-3-41-35(39)28-15-7-9-18-32(28)42-22-25-21-24(19-20-31(25)40-2)33-36-29-16-8-6-14-27(29)34(38)37(33)30-17-10-12-23-11-4-5-13-26(23)30/h4-21,33,36H,3,22H2,1-2H3/t33-/m0/s1

InChI Key

CTBJIGZYADJCFQ-XIFFEERXSA-N

MDL Number (MFCD)

MFCD01944679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.435

Distribution Coefficient, logD

7.435

Water Solubility, LogSw

-6.75

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

3118-0367 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3118-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0367?
Check Price and Availability of 3118-0367, 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 3118-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0367
  • 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 3118-0367 available by request