K272-0969 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-0969 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-9-methyl-10-phenyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-0969 Screening compound: 4,6-dichloro-N~13~-(4-chlorophenyl)-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 K272-0969
4,6-dichloro-N~13~-(4-chlorophenyl)-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

K272-0969

Molecular Formula

C24H18Cl3N3O2S (C24 H18 Cl3 N3 O2 S)

Compound Name

4,6-dichloro-N~13~-(4-chlorophenyl)-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

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

SMILES

CC(C(C(c1cc(Cl)c2)N3)C(Nc(cc4)ccc4Cl)=O)(N(c4ccccc4)C3=S)Oc1c2Cl

InChI

InChI=1S/C24H18Cl3N3O2S/c1-24-19(22(31)28-15-9-7-13(25)8-10-15)20(17-11-14(26)12-18(27)21(17)32-24)29-23(33)30(24)16-5-3-2-4-6-16/h2-12,19-20H,1H3,(H,28,31)(H,29,33)

InChI Key

JCWJMKSNFBAZJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.410

Distribution Coefficient, logD

6.387

Water Solubility, LogSw

-6.21

Polar Surface Area

43.288

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with K272-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0969?
Check Price and Availability of K272-0969, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K272-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0969
  • 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 K272-0969 available by request