C200-0448 Screening compound: 9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C200-0448 Screening compound: 9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C200-0448 Screening compound: 9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0448
9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

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

C200-0448

Molecular Formula

C18H18N2O2S (C18 H18 N2 O2 S)

Compound Name

9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cccc(SC)c3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C18H18N2O2S/c1-18-11-15(14-8-3-4-9-16(14)22-18)19-17(21)20(18)12-6-5-7-13(10-12)23-2/h3-10,15H,11H2,1-2H3,(H,19,21)

InChI Key

DFQHEZFHBUPLCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05027133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.09

Polar Surface Area

33.077

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.78

C200-0448 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0448?
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What is the minimum amount of C200-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0448
  • 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 C200-0448 available by request