K272-2105 Screening compound: N~13~-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-2105 Screening compound: N~13~-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-2105 Screening compound: N~13~-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-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 K272-2105
N~13~-(2,4-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-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

K272-2105

Molecular Formula

C29H31N3O3S (C29 H31 N3 O3 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-6-ethoxy-9-methyl-10-(2-methylphenyl)-11-sulfanylidene-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-13-carboxamide

SMILES

CCOc1cccc(C(C2C(Nc3c(C)cc(C)cc3)=O)N3)c1OC2(C)N(c1c(C)cccc1)C3=S

InChI

InChI=1S/C29H31N3O3S/c1-6-34-23-13-9-11-20-25-24(27(33)30-21-15-14-17(2)16-19(21)4)29(5,35-26(20)23)32(28(36)31-25)22-12-8-7-10-18(22)3/h7-16,24-25H,6H2,1-5H3,(H,30,33)(H,31,36)

InChI Key

XZOZQNVRNZQSBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.241

Distribution Coefficient, logD

6.240

Water Solubility, LogSw

-5.45

Polar Surface Area

49.499

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with K272-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K272-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-2105
  • 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 K272-2105 available by request