K272-0877 Screening compound: N~13~-(4-chlorophenyl)-10-(2,3-dimethylphenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-0877 Screening compound: N~13~-(4-chlorophenyl)-10-(2,3-dimethylphenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-0877 Screening compound: N~13~-(4-chlorophenyl)-10-(2,3-dimethylphenyl)-6-methoxy-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 K272-0877
N~13~-(4-chlorophenyl)-10-(2,3-dimethylphenyl)-6-methoxy-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

K272-0877

Molecular Formula

C27H26ClN3O3S (C27 H26 ClN3 O3 S)

Compound Name

N~13~-(4-chlorophenyl)-10-(2,3-dimethylphenyl)-6-methoxy-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

IUPAC name

N-(4-chlorophenyl)-10-(23-dimethylphenyl)-6-methoxy-9-methyl-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CC(C(C1N2)C(Nc(cc3)ccc3Cl)=O)(N(c3c(C)c(C)ccc3)C2=S)Oc2c1cccc2OC

InChI

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

InChI Key

RWYWEGIRVHRSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085918

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

6.081

Distribution Coefficient, logD

6.057

Water Solubility, LogSw

-6.16

Polar Surface Area

50.617

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K272-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-0877?
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What is the minimum amount of K272-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-0877
  • 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 K272-0877 available by request