F067-1116 Screening compound: 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

F067-1116 Screening compound: 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
F067-1116 Screening compound: 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-1116
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-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

F067-1116

Molecular Formula

C30H31N3O4S (C30 H31 N3 O4 S)

Compound Name

2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[1-(34-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-propyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCNC(c(cc1)cc(N=C(N2c3cc(OC)ccc3)SC(C)C(c3cc(C)c(C)cc3)=O)c1C2=O)=O

InChI

InChI=1S/C30H31N3O4S/c1-6-14-31-28(35)22-12-13-25-26(16-22)32-30(33(29(25)36)23-8-7-9-24(17-23)37-5)38-20(4)27(34)21-11-10-18(2)19(3)15-21/h7-13,15-17,20H,6,14H2,1-5H3,(H,31,35)/t20-/m0/s1

InChI Key

CUEQNZMQBPSRSB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14939361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.675

Water Solubility, LogSw

-5.45

Polar Surface Area

70.968

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

F067-1116 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with F067-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-1116?
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What is the minimum amount of F067-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-1116
  • 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 F067-1116 available by request