F067-0465 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

F067-0465 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
F067-0465 Screening compound: 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0465
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-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

F067-0465

Molecular Formula

C30H31N3O5S (C30 H31 N3 O5 S)

Compound Name

2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[2-(34-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(35-dimethylphenyl)-4-oxo-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2c3cc(C)cc(C)c3)SCC(c(cc3)cc(OC)c3OC)=O)c1C2=O)=O

InChI

InChI=1S/C30H31N3O5S/c1-17(2)31-28(35)21-7-9-23-24(14-21)32-30(33(29(23)36)22-12-18(3)11-19(4)13-22)39-16-25(34)20-8-10-26(37-5)27(15-20)38-6/h7-15,17H,16H2,1-6H3,(H,31,35)

InChI Key

PNJZNDDBOVKPDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.66

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

4.568

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.48

Polar Surface Area

77.326

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

F067-0465 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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:
  • Nervous system
  • 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 F067-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0465?
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What is the minimum amount of F067-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0465
  • 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 F067-0465 available by request