C297-0004 Screening compound: [10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](2-furyl)methanone

C297-0004 Screening compound: [10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](2-furyl)methanone
C297-0004 Screening compound: [10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C297-0004
[10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](2-furyl)methanone

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

C297-0004

Molecular Formula

C22H17FN2O3S (C22 H17 FN2 O3 S)

Compound Name

[10-(4-fluorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](2-furyl)methanone

IUPAC name

10-(4-fluorophenyl)-12-(furan-2-carbonyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2C(c3ccco3)=O)(N(c(cc3)ccc3F)C2=S)Oc2c1cccc2

InChI

InChI=1S/C22H17FN2O3S/c1-22-13-17(16-5-2-3-6-18(16)28-22)24(20(26)19-7-4-12-27-19)21(29)25(22)15-10-8-14(23)9-11-15/h2-12,17H,13H2,1H3

InChI Key

CMUQPQFUNNJOLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.838

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.15

Polar Surface Area

31.462

Acid Dissociation Constant (pKa)

26.83

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

C297-0004 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C297-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C297-0004?
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What is the minimum amount of C297-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C297-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C297-0004
  • 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 C297-0004 available by request