K272-2727 Screening compound: methyl 10-(2,6-dimethylphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate

K272-2727 Screening compound: methyl 10-(2,6-dimethylphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate
K272-2727 Screening compound: methyl 10-(2,6-dimethylphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-2727
methyl 10-(2,6-dimethylphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-4-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

K272-2727

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

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

IUPAC name

methyl 10-(26-dimethylphenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-4-carboxylate

SMILES

CC(CC1N2)(N(c3c(C)cccc3C)C2=S)Oc(cc2)c1cc2C(OC)=O

InChI

InChI=1S/C21H22N2O3S/c1-12-6-5-7-13(2)18(12)23-20(27)22-16-11-21(23,3)26-17-9-8-14(10-15(16)17)19(24)25-4/h5-10,16H,11H2,1-4H3,(H,22,27)

InChI Key

MUKDOTSDAGMVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.56

Polar Surface Area

40.486

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with K272-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2727?
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What is the minimum amount of K272-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2727
  • 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 K272-2727 available by request