8016-5568 Screening compound: methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate

8016-5568 Screening compound: methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
8016-5568 Screening compound: methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5568
methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate

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

8016-5568

Molecular Formula

C26H23N3O5S (C26 H23 N3 O5 S)

Compound Name

methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxylate

IUPAC name

methyl 2-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-34-dihydroquinazoline-7-carboxylate

SMILES

CCOc(cccc1)c1NC(CSC(N1c2ccccc2)=Nc(cc(cc2)C(OC)=O)c2C1=O)=O

InChI

InChI=1S/C26H23N3O5S/c1-3-34-22-12-8-7-11-20(22)27-23(30)16-35-26-28-21-15-17(25(32)33-2)13-14-19(21)24(31)29(26)18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,27,30)

InChI Key

DSHIKILYXYVBHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

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

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.00

Polar Surface Area

75.995

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8016-5568 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 8016-5568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5568?
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What is the minimum amount of 8016-5568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5568
  • 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 8016-5568 available by request