K272-2712 Screening compound: 4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2712 Screening compound: 4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2712 Screening compound: 4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-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 K272-2712
4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-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

K272-2712

Molecular Formula

C18H17FN2OS2 (C18 H17 FN2 OS2)

Compound Name

4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

4-fluoro-9-methyl-10-[3-(methylsulfanyl)phenyl]-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2)(N(c3cc(SC)ccc3)C2=S)Oc(cc2)c1cc2F

InChI

InChI=1S/C18H17FN2OS2/c1-18-10-15(14-8-11(19)6-7-16(14)22-18)20-17(23)21(18)12-4-3-5-13(9-12)24-2/h3-9,15H,10H2,1-2H3,(H,20,23)

InChI Key

YCVMYNSXJKSIHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.40

Polar Surface Area

19.914

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K272-2712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2712?
Check Price and Availability of K272-2712, 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 K272-2712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2712
  • 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 K272-2712 available by request