K272-2816 Screening compound: 4,10-diethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2816 Screening compound: 4,10-diethyl-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2816 Screening compound: 4,10-diethyl-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 K272-2816
4,10-diethyl-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

K272-2816

Molecular Formula

C15H20N2OS (C15 H20 N2 OS)

Compound Name

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

IUPAC name

410-diethyl-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCc(cc1)cc(C(C2)N3)c1OC2(C)N(CC)C3=S

InChI

InChI=1S/C15H20N2OS/c1-4-10-6-7-13-11(8-10)12-9-15(3,18-13)17(5-2)14(19)16-12/h6-8,12H,4-5,9H2,1-3H3,(H,16,19)

InChI Key

BKJPOWVXWDUADV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-4.01

Polar Surface Area

20.522

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

K272-2816 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 K272-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2816?
Check Price and Availability of K272-2816, 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 K272-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2816
  • 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 K272-2816 available by request