3118-0148 Screening compound: ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]-2-methoxyphenyl}methoxy)benzoate

3118-0148 Screening compound: ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]-2-methoxyphenyl}methoxy)benzoate
3118-0148 Screening compound: ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]-2-methoxyphenyl}methoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0148
ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]-2-methoxyphenyl}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

3118-0148

Molecular Formula

C31H27FN2O5 (C31 H27 FN2 O5)

Compound Name

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

IUPAC name

ethyl 2-({5-[3-(4-fluorophenyl)-4-oxo-1234-tetrahydroquinazolin-2-yl]-2-methoxyphenyl}methoxy)benzoate

SMILES

CCOC(c(cccc1)c1OCc(cc(C(Nc1c2cccc1)N(c(cc1)ccc1F)C2=O)cc1)c1OC)=O

InChI

InChI=1S/C31H27FN2O5/c1-3-38-31(36)25-9-5-7-11-28(25)39-19-21-18-20(12-17-27(21)37-2)29-33-26-10-6-4-8-24(26)30(35)34(29)23-15-13-22(32)14-16-23/h4-18,29,33H,3,19H2,1-2H3/t29-/m0/s1

InChI Key

LABRMRZWRDPOIN-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD01955790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.56

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

6.198

Distribution Coefficient, logD

6.198

Water Solubility, LogSw

-5.56

Polar Surface Area

62.430

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

3118-0148 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 3118-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0148?
Check Price and Availability of 3118-0148, 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 3118-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0148
  • 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 3118-0148 available by request