K272-1109 Screening compound: 4-chloro-N~13~-(4-methoxyphenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1109 Screening compound: 4-chloro-N~13~-(4-methoxyphenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1109 Screening compound: 4-chloro-N~13~-(4-methoxyphenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K272-1109
4-chloro-N~13~-(4-methoxyphenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

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

K272-1109

Molecular Formula

C25H22ClN3O3S (C25 H22 ClN3 O3 S)

Compound Name

4-chloro-N~13~-(4-methoxyphenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

4-chloro-N-(4-methoxyphenyl)-9-methyl-10-phenyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc(cc3)ccc3OC)=O)(N(c3ccccc3)C2=S)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-25-21(23(30)27-16-9-11-18(31-2)12-10-16)22(19-14-15(26)8-13-20(19)32-25)28-24(33)29(25)17-6-4-3-5-7-17/h3-14,21-22H,1-2H3,(H,27,30)(H,28,33)

InChI Key

WJSBSGIBVNZEKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.43

Polar Surface Area

51.147

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with K272-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1109?
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What is the minimum amount of K272-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1109
  • 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 K272-1109 available by request