C298-0040 Screening compound: 4-chloro-9-methyl-10-phenyl-12-(2-thienylcarbonyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C298-0040 Screening compound: 4-chloro-9-methyl-10-phenyl-12-(2-thienylcarbonyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C298-0040 Screening compound: 4-chloro-9-methyl-10-phenyl-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 C298-0040
4-chloro-9-methyl-10-phenyl-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

C298-0040

Molecular Formula

C22H17ClN2O3S (C22 H17 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1N2C(c3cccs3)=O)(N(c3ccccc3)C2=O)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-22-13-17(16-12-14(23)9-10-18(16)28-22)24(20(26)19-8-5-11-29-19)21(27)25(22)15-6-3-2-4-7-15/h2-12,17H,13H2,1H3

InChI Key

YAWBNHVOTDWLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

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

4.830

Distribution Coefficient, logD

4.830

Water Solubility, LogSw

-5.00

Polar Surface Area

37.210

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

C298-0040 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C298-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C298-0040?
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What is the minimum amount of C298-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C298-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C298-0040
  • 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 C298-0040 available by request