K272-0018 Screening compound: ethyl 6-methoxy-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0018 Screening compound: ethyl 6-methoxy-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0018 Screening compound: ethyl 6-methoxy-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-0018
ethyl 6-methoxy-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

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

K272-0018

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

ethyl 6-methoxy-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

IUPAC name

ethyl 6-methoxy-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCOC(C(C1NC(N2c3ccccc3)=S)C2(C)Oc2c1cccc2OC)=O

InChI

InChI=1S/C21H22N2O4S/c1-4-26-19(24)16-17-14-11-8-12-15(25-3)18(14)27-21(16,2)23(20(28)22-17)13-9-6-5-7-10-13/h5-12,16-17H,4H2,1-3H3,(H,22,28)

InChI Key

JUVFTYLPUGWZEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.704

Water Solubility, LogSw

-4.10

Polar Surface Area

48.581

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K272-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0018?
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What is the minimum amount of K272-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0018
  • 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 K272-0018 available by request