K272-1391 Screening compound: N~13~-(2,4-dimethylphenyl)-4,9-dimethyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide

K272-1391 Screening compound: N~13~-(2,4-dimethylphenyl)-4,9-dimethyl-10-(3-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide
K272-1391 Screening compound: N~13~-(2,4-dimethylphenyl)-4,9-dimethyl-10-(3-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 K272-1391
N~13~-(2,4-dimethylphenyl)-4,9-dimethyl-10-(3-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

K272-1391

Molecular Formula

C28H29N3O2S (C28 H29 N3 O2 S)

Compound Name

N~13~-(2,4-dimethylphenyl)-4,9-dimethyl-10-(3-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)-49-dimethyl-10-(3-methylphenyl)-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(c3cc(C)ccc3)C2=S)Oc2c1cc(C)cc2

InChI

InChI=1S/C28H29N3O2S/c1-16-7-6-8-20(14-16)31-27(34)30-25-21-15-18(3)10-12-23(21)33-28(31,5)24(25)26(32)29-22-11-9-17(2)13-19(22)4/h6-15,24-25H,1-5H3,(H,29,32)(H,30,34)

InChI Key

WLHXJNXQMPLFKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

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

6.262

Distribution Coefficient, logD

6.261

Water Solubility, LogSw

-5.47

Polar Surface Area

42.906

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K272-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1391?
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What is the minimum amount of K272-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1391
  • 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 K272-1391 available by request