F141-0116 Screening compound: 4-bromo-10-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

F141-0116 Screening compound: 4-bromo-10-ethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
F141-0116 Screening compound: 4-bromo-10-ethyl-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 F141-0116
4-bromo-10-ethyl-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

F141-0116

Molecular Formula

C13H15BrN2OS (C13 H15 BrN2 OS)

Compound Name

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

SMILES

CCN(C(C)(CC1N2)Oc(cc3)c1cc3Br)C2=S

InChI

InChI=1S/C13H15BrN2OS/c1-3-16-12(18)15-10-7-13(16,2)17-11-5-4-8(14)6-9(10)11/h4-6,10H,3,7H2,1-2H3,(H,15,18)

InChI Key

LSDRTYLYDAEMJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.24

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

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.82

Polar Surface Area

20.522

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

F141-0116 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F141-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F141-0116?
Check Price and Availability of F141-0116, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F141-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F141-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F141-0116
  • 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 F141-0116 available by request