C297-0058 Screening compound: (5-bromo-2-furyl)[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]methanone

C297-0058 Screening compound: (5-bromo-2-furyl)[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]methanone
C297-0058 Screening compound: (5-bromo-2-furyl)[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]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C297-0058
(5-bromo-2-furyl)[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]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

C297-0058

Molecular Formula

C22H16BrFN2O3S (C22 H16 BrFN2 O3 S)

Compound Name

(5-bromo-2-furyl)[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]methanone

IUPAC name

12-(5-bromofuran-2-carbonyl)-10-(4-fluorophenyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2C(c(o3)ccc3Br)=O)(N(c(cc3)ccc3F)C2=S)Oc2c1cccc2

InChI

InChI=1S/C22H16BrFN2O3S/c1-22-12-16(15-4-2-3-5-17(15)29-22)25(20(27)18-10-11-19(23)28-18)21(30)26(22)14-8-6-13(24)7-9-14/h2-11,16H,12H2,1H3

InChI Key

OIJKFHCUAZMEHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.35

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

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.60

Polar Surface Area

31.810

Acid Dissociation Constant (pKa)

26.83

Base Dissociation Constant (pKb)

-7.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C297-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C297-0058?
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What is the minimum amount of C297-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C297-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C297-0058
  • 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 C297-0058 available by request