F067-1168 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

F067-1168 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
F067-1168 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-1168
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-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

F067-1168

Molecular Formula

C28H26FN3O5S (C28 H26 FN3 O5 S)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[2-(34-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-4-oxo-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2c3cc(F)ccc3)SCC(c(cc3)cc(OC)c3OC)=O)c1C2=O)=O

InChI

InChI=1S/C28H26FN3O5S/c1-16(2)30-26(34)18-8-10-21-22(12-18)31-28(32(27(21)35)20-7-5-6-19(29)14-20)38-15-23(33)17-9-11-24(36-3)25(13-17)37-4/h5-14,16H,15H2,1-4H3,(H,30,34)

InChI Key

JIXRTRXXRJCNGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.99

Polar Surface Area

77.326

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F067-1168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with F067-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-1168?
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What is the minimum amount of F067-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-1168
  • 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 F067-1168 available by request