K272-1752 Screening compound: allyl 6-ethoxy-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-1752 Screening compound: allyl 6-ethoxy-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-1752 Screening compound: allyl 6-ethoxy-9-methyl-10-(3-methylphenyl)-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 K272-1752
allyl 6-ethoxy-9-methyl-10-(3-methylphenyl)-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

K272-1752

Molecular Formula

C24H26N2O4S (C24 H26 N2 O4 S)

Compound Name

allyl 6-ethoxy-9-methyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

IUPAC name

prop-2-en-1-yl 6-ethoxy-9-methyl-10-(3-methylphenyl)-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCOc1cccc(C(C2C(OCC=C)=O)N3)c1OC2(C)N(c1cc(C)ccc1)C3=S

InChI

InChI=1S/C24H26N2O4S/c1-5-13-29-22(27)19-20-17-11-8-12-18(28-6-2)21(17)30-24(19,4)26(23(31)25-20)16-10-7-9-15(3)14-16/h5,7-12,14,19-20H,1,6,13H2,2-4H3,(H,25,31)

InChI Key

BDOZAKPEDOIECT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-4.89

Polar Surface Area

48.455

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K272-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1752?
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What is the minimum amount of K272-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1752
  • 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 K272-1752 available by request