K272-1659 Screening compound: allyl 10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate

K272-1659 Screening compound: allyl 10-(3-chlorophenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
K272-1659 Screening compound: allyl 10-(3-chlorophenyl)-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 K272-1659
allyl 10-(3-chlorophenyl)-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

K272-1659

Molecular Formula

C21H19ClN2O3S (C21 H19 ClN2 O3 S)

Compound Name

allyl 10-(3-chlorophenyl)-9-methyl-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 10-(3-chlorophenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxylate

SMILES

CC(C(C1N2)C(OCC=C)=O)(N(c3cccc(Cl)c3)C2=S)Oc2c1cccc2

InChI

InChI=1S/C21H19ClN2O3S/c1-3-11-26-19(25)17-18-15-9-4-5-10-16(15)27-21(17,2)24(20(28)23-18)14-8-6-7-13(22)12-14/h3-10,12,17-18H,1,11H2,2H3,(H,23,28)

InChI Key

GBXMLPVOSVVVKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.785

Distribution Coefficient, logD

4.785

Water Solubility, LogSw

-4.93

Polar Surface Area

41.560

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-7.75

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K272-1659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1659?
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What is the minimum amount of K272-1659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1659
  • 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 K272-1659 available by request