C297-0063 Screening compound: [10-(4-fluorophenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](4-methoxyphenyl)methanone

C297-0063 Screening compound: [10-(4-fluorophenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](4-methoxyphenyl)methanone
C297-0063 Screening compound: [10-(4-fluorophenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](4-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C297-0063
[10-(4-fluorophenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-12-yl](4-methoxyphenyl)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

C297-0063

Molecular Formula

C26H23FN2O4S (C26 H23 FN2 O4 S)

Compound Name

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

IUPAC name

10-(4-fluorophenyl)-6-methoxy-12-(4-methoxybenzoyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2C(c(cc3)ccc3OC)=O)(N(c(cc3)ccc3F)C2=S)Oc2c1cccc2OC

InChI

InChI=1S/C26H23FN2O4S/c1-26-15-21(20-5-4-6-22(32-3)23(20)33-26)28(24(30)16-7-13-19(31-2)14-8-16)25(34)29(26)18-11-9-17(27)10-12-18/h4-14,21H,15H2,1-3H3

InChI Key

VTNJLJDGDQRJLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.477

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.49

Polar Surface Area

37.742

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

-6.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C297-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C297-0063?
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What is the minimum amount of C297-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C297-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C297-0063
  • 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 C297-0063 available by request