K272-2795 Screening compound: ethyl 3-(4-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoate

K272-2795 Screening compound: ethyl 3-(4-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoate
K272-2795 Screening compound: ethyl 3-(4-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-2795
ethyl 3-(4-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoate

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

K272-2795

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

ethyl 3-(4-ethyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzoate

IUPAC name

ethyl 3-{4-ethyl-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzoate

SMILES

CCc(cc1)cc(C(C2)N3)c1OC2(C)N(c1cc(C(OCC)=O)ccc1)C3=S

InChI

InChI=1S/C22H24N2O3S/c1-4-14-9-10-19-17(11-14)18-13-22(3,27-19)24(21(28)23-18)16-8-6-7-15(12-16)20(25)26-5-2/h6-12,18H,4-5,13H2,1-3H3,(H,23,28)

InChI Key

KHHFRDWNLPKGEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

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

5.122

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.12

Polar Surface Area

40.668

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K272-2795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-2795?
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What is the minimum amount of K272-2795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2795
  • 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 K272-2795 available by request