5191-0017 Screening compound: N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}acetamide

5191-0017 Screening compound: N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}acetamide
5191-0017 Screening compound: N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5191-0017
N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}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

5191-0017

Molecular Formula

C29H24FN3O4 (C29 H24 FN3 O4)

Compound Name

N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]phenoxy}acetamide

IUPAC name

N-(4-fluorophenyl)-2-{4-[3-(4-methoxyphenyl)-4-oxo-1234-tetrahydroquinazolin-2-yl]phenoxy}acetamide

SMILES

COc(cc1)ccc1N(C(c(cc1)ccc1OCC(Nc(cc1)ccc1F)=O)Nc1c2cccc1)C2=O

InChI

InChI=1S/C29H24FN3O4/c1-36-23-16-12-22(13-17-23)33-28(32-26-5-3-2-4-25(26)29(33)35)19-6-14-24(15-7-19)37-18-27(34)31-21-10-8-20(30)9-11-21/h2-17,28,32H,18H2,1H3,(H,31,34)/t28-/m0/s1

InChI Key

GPDWOZIETHTWLT-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03083382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

5.200

Water Solubility, LogSw

-5.07

Polar Surface Area

64.652

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.30

5191-0017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 5191-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5191-0017?
Check Price and Availability of 5191-0017, 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 5191-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5191-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5191-0017
  • 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 5191-0017 available by request