K272-1316 Screening compound: 4-chloro-N~13~-(2,4-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1316 Screening compound: 4-chloro-N~13~-(2,4-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1316 Screening compound: 4-chloro-N~13~-(2,4-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-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 K272-1316
4-chloro-N~13~-(2,4-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-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

K272-1316

Molecular Formula

C27H26ClN3O3S (C27 H26 ClN3 O3 S)

Compound Name

4-chloro-N~13~-(2,4-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-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-(24-dimethylphenyl)-10-(4-methoxyphenyl)-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc3c(C)cc(C)cc3)=O)(N(c(cc3)ccc3OC)C2=S)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C27H26ClN3O3S/c1-15-5-11-21(16(2)13-15)29-25(32)23-24-20-14-17(28)6-12-22(20)34-27(23,3)31(26(35)30-24)18-7-9-19(33-4)10-8-18/h5-14,23-24H,1-4H3,(H,29,32)(H,30,35)

InChI Key

GYVZKRQUSHADFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.04

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

6.003

Distribution Coefficient, logD

6.002

Water Solubility, LogSw

-6.14

Polar Surface Area

50.449

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K272-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1316?
Check Price and Availability of K272-1316, 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 K272-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1316
  • 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 K272-1316 available by request