F067-0022 Screening compound: 3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

F067-0022 Screening compound: 3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
F067-0022 Screening compound: 3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0022
3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

F067-0022

Molecular Formula

C27H24FN3O4S (C27 H24 FN3 O4 S)

Compound Name

3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COCCNC(c(cc1)cc(N=C(N2Cc3ccccc3)SCC(c(cc3)ccc3F)=O)c1C2=O)=O

InChI

InChI=1S/C27H24FN3O4S/c1-35-14-13-29-25(33)20-9-12-22-23(15-20)30-27(31(26(22)34)16-18-5-3-2-4-6-18)36-17-24(32)19-7-10-21(28)11-8-19/h2-12,15H,13-14,16-17H2,1H3,(H,29,33)

InChI Key

IJCUKOUPZMBDAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-4.10

Polar Surface Area

71.887

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F067-0022 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F067-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0022?
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What is the minimum amount of F067-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0022
  • 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 F067-0022 available by request