K272-0629 Screening compound: ethyl 4-chloro-10-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-0629 Screening compound: ethyl 4-chloro-10-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-0629 Screening compound: ethyl 4-chloro-10-ethyl-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 K272-0629
ethyl 4-chloro-10-ethyl-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

K272-0629

Molecular Formula

C16H19ClN2O3S (C16 H19 ClN2 O3 S)

Compound Name

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

SMILES

CCN(C(C)(C(C1N2)C(OCC)=O)Oc(cc3)c1cc3Cl)C2=S

InChI

InChI=1S/C16H19ClN2O3S/c1-4-19-15(23)18-13-10-8-9(17)6-7-11(10)22-16(19,3)12(13)14(20)21-5-2/h6-8,12-13H,4-5H2,1-3H3,(H,18,23)

InChI Key

DBMWLDAFXYDYEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-4.33

Polar Surface Area

41.874

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K272-0629 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with K272-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0629?
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What is the minimum amount of K272-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0629
  • 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 K272-0629 available by request