K272-2852 Screening compound: 6-chloro-10-(3,4-dimethylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

K272-2852 Screening compound: 6-chloro-10-(3,4-dimethylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
K272-2852 Screening compound: 6-chloro-10-(3,4-dimethylphenyl)-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 K272-2852
6-chloro-10-(3,4-dimethylphenyl)-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

K272-2852

Molecular Formula

C19H19ClN2OS (C19 H19 ClN2 OS)

Compound Name

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

IUPAC name

6-chloro-10-(34-dimethylphenyl)-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(CC(c1ccc2)N3)(N(c4cc(C)c(C)cc4)C3=S)Oc1c2Cl

InChI

InChI=1S/C19H19ClN2OS/c1-11-7-8-13(9-12(11)2)22-18(24)21-16-10-19(22,3)23-17-14(16)5-4-6-15(17)20/h4-9,16H,10H2,1-3H3,(H,21,24)

InChI Key

QZWMNYZNRPSJSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.89

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

5.345

Distribution Coefficient, logD

5.345

Water Solubility, LogSw

-6.02

Polar Surface Area

19.599

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K272-2852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2852?
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What is the minimum amount of K272-2852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2852
  • 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 K272-2852 available by request