F141-0124 Screening compound: 4-bromo-10-(2-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

F141-0124 Screening compound: 4-bromo-10-(2-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
F141-0124 Screening compound: 4-bromo-10-(2-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound F141-0124
4-bromo-10-(2-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

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

F141-0124

Molecular Formula

C17H14BrFN2OS (C17 H14 BrFN2 OS)

Compound Name

4-bromo-10-(2-fluorophenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

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

SMILES

CC(CC1N2)(N(c(cccc3)c3F)C2=S)Oc(cc2)c1cc2Br

InChI

InChI=1S/C17H14BrFN2OS/c1-17-9-13(11-8-10(18)6-7-15(11)22-17)20-16(23)21(17)14-5-3-2-4-12(14)19/h2-8,13H,9H2,1H3,(H,20,23)

InChI Key

BIBFRMMVFXRVGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.41

Polar Surface Area

19.613

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with F141-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F141-0124?
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What is the minimum amount of F141-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F141-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F141-0124
  • 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 F141-0124 available by request