C298-0027 Screening compound: 9-methyl-10-(4-methylphenyl)-12-(2-thienylcarbonyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C298-0027 Screening compound: 9-methyl-10-(4-methylphenyl)-12-(2-thienylcarbonyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C298-0027 Screening compound: 9-methyl-10-(4-methylphenyl)-12-(2-thienylcarbonyl)-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 C298-0027
9-methyl-10-(4-methylphenyl)-12-(2-thienylcarbonyl)-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

C298-0027

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

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

IUPAC name

9-methyl-10-(4-methylphenyl)-12-(thiophene-2-carbonyl)-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2C(c3cccs3)=O)(N(c3ccc(C)cc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C23H20N2O3S/c1-15-9-11-16(12-10-15)25-22(27)24(21(26)20-8-5-13-29-20)18-14-23(25,2)28-19-7-4-3-6-17(18)19/h3-13,18H,14H2,1-2H3

InChI Key

ONMBFASWCPKTCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-4.64

Polar Surface Area

37.210

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

C298-0027 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)

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 C298-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C298-0027?
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What is the minimum amount of C298-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C298-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C298-0027
  • 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 C298-0027 available by request