K272-2227 Screening compound: 9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2227 Screening compound: 9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2227 Screening compound: 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 K272-2227
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

K272-2227

Molecular Formula

C11H12N2OS (C11 H12 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1N2)(NC2=S)Oc2c1cccc2

InChI

InChI=1S/C11H12N2OS/c1-11-6-8(12-10(15)13-11)7-4-2-3-5-9(7)14-11/h2-5,8H,6H2,1H3,(H2,12,13,15)

InChI Key

XRROYJNMXAHSGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.29

Polar Surface Area

30.601

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with K272-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2227?
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What is the minimum amount of K272-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2227
  • 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 K272-2227 available by request