3118-0056 Screening compound: N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide

3118-0056 Screening compound: N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide
3118-0056 Screening compound: N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0056
N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide

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

3118-0056

Molecular Formula

C31H29N3O5 (C31 H29 N3 O5)

Compound Name

N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide

IUPAC name

N-[4-({2-methoxy-5-[3-(4-methoxyphenyl)-4-oxo-1234-tetrahydroquinazolin-2-yl]phenyl}methoxy)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1OCc(cc(C(Nc1c2cccc1)N(c(cc1)ccc1OC)C2=O)cc1)c1OC)=O

InChI

InChI=1S/C31H29N3O5/c1-20(35)32-23-9-13-26(14-10-23)39-19-22-18-21(8-17-29(22)38-3)30-33-28-7-5-4-6-27(28)31(36)34(30)24-11-15-25(37-2)16-12-24/h4-18,30,33H,19H2,1-3H3,(H,32,35)/t30-/m0/s1

InChI Key

QRIUBNIKKDECQN-PMERELPUSA-N

MDL Number (MFCD)

MFCD01948256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.861

Water Solubility, LogSw

-4.62

Polar Surface Area

72.395

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

3118-0056 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 3118-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0056?
Check Price and Availability of 3118-0056, 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 3118-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0056
  • 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 3118-0056 available by request