K272-1276 Screening compound: N~13~-(2,4-dimethylphenyl)-6-methoxy-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

K272-1276 Screening compound: N~13~-(2,4-dimethylphenyl)-6-methoxy-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
K272-1276 Screening compound: N~13~-(2,4-dimethylphenyl)-6-methoxy-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 K272-1276
N~13~-(2,4-dimethylphenyl)-6-methoxy-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

K272-1276

Molecular Formula

C28H29N3O4S (C28 H29 N3 O4 S)

Compound Name

N~13~-(2,4-dimethylphenyl)-6-methoxy-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

N-(24-dimethylphenyl)-6-methoxy-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)Oc2c1cccc2OC

InChI

InChI=1S/C28H29N3O4S/c1-16-9-14-21(17(2)15-16)29-26(32)23-24-20-7-6-8-22(34-5)25(20)35-28(23,3)31(27(36)30-24)18-10-12-19(33-4)13-11-18/h6-15,23-24H,1-5H3,(H,29,32)(H,30,36)

InChI Key

BGFAJLLYWXZGMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.278

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.14

Polar Surface Area

57.764

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 K272-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K272-1276?
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What is the minimum amount of K272-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K272-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K272-1276
  • 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 K272-1276 available by request