K272-0010 Screening compound: ethyl 6-ethoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0010 Screening compound: ethyl 6-ethoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0010 Screening compound: ethyl 6-ethoxy-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 K272-0010
ethyl 6-ethoxy-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

K272-0010

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

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

SMILES

CCOC(C(C1NC(N2)=S)C2(C)Oc2c1cccc2OCC)=O

InChI

InChI=1S/C16H20N2O4S/c1-4-20-10-8-6-7-9-12-11(14(19)21-5-2)16(3,22-13(9)10)18-15(23)17-12/h6-8,11-12H,4-5H2,1-3H3,(H2,17,18,23)

InChI Key

QWOWIYSKXGGMGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.08

Polar Surface Area

59.182

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K272-0010 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K272-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0010?
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What is the minimum amount of K272-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0010
  • 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 K272-0010 available by request