4333-6758 Screening compound: 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

4333-6758 Screening compound: 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
4333-6758 Screening compound: 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-6758
2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

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

4333-6758

Molecular Formula

C21H17FN2O2 (C21 H17 FN2 O2)

Compound Name

2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

2-(2-fluorophenyl)-3-(4-methoxyphenyl)-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)ccc1N(C(c(cccc1)c1F)Nc1c2cccc1)C2=O

InChI

InChI=1S/C21H17FN2O2/c1-26-15-12-10-14(11-13-15)24-20(16-6-2-4-8-18(16)22)23-19-9-5-3-7-17(19)21(24)25/h2-13,20,23H,1H3/t20-/m0/s1

InChI Key

LYXPSDAPBZZZRY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02217267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.45

Polar Surface Area

34.275

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

4333-6758 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 4333-6758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-6758?
Check Price and Availability of 4333-6758, 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 4333-6758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-6758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-6758
  • 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 4333-6758 available by request