K272-2381 Screening compound: 4,9-dimethyl-10-(2-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2381 Screening compound: 4,9-dimethyl-10-(2-methylphenyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2381 Screening compound: 4,9-dimethyl-10-(2-methylphenyl)-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 K272-2381
4,9-dimethyl-10-(2-methylphenyl)-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

K272-2381

Molecular Formula

C19H20N2OS (C19 H20 N2 OS)

Compound Name

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

IUPAC name

49-dimethyl-10-(2-methylphenyl)-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC1N2)(N(c3c(C)cccc3)C2=S)Oc2c1cc(C)cc2

InChI

InChI=1S/C19H20N2OS/c1-12-8-9-17-14(10-12)15-11-19(3,22-17)21(18(23)20-15)16-7-5-4-6-13(16)2/h4-10,15H,11H2,1-3H3,(H,20,23)

InChI Key

BVENAHIPURLGBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.45

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

4.414

Distribution Coefficient, logD

4.414

Water Solubility, LogSw

-4.40

Polar Surface Area

19.613

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K272-2381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2381?
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What is the minimum amount of K272-2381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2381
  • 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 K272-2381 available by request