K272-0138 Screening compound: ethyl 10-(2,6-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0138 Screening compound: ethyl 10-(2,6-dimethylphenyl)-4-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0138 Screening compound: ethyl 10-(2,6-dimethylphenyl)-4-methoxy-9-methyl-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 K272-0138
ethyl 10-(2,6-dimethylphenyl)-4-methoxy-9-methyl-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

K272-0138

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 10-(26-dimethylphenyl)-4-methoxy-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CCOC(C(C1NC(N2c3c(C)cccc3C)=S)C2(C)Oc(cc2)c1cc2OC)=O

InChI

InChI=1S/C23H26N2O4S/c1-6-28-21(26)18-19-16-12-15(27-5)10-11-17(16)29-23(18,4)25(22(30)24-19)20-13(2)8-7-9-14(20)3/h7-12,18-19H,6H2,1-5H3,(H,24,30)

InChI Key

PQODNRUWYWBQLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

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

4.730

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.61

Polar Surface Area

48.208

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with K272-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0138?
Check Price and Availability of K272-0138, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K272-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0138
  • 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 K272-0138 available by request