K273-0202 Screening compound: 12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

K273-0202 Screening compound: 12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
K273-0202 Screening compound: 12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K273-0202
12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

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

K273-0202

Molecular Formula

C24H27NO5 (C24 H27 NO5)

Compound Name

12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

12-(4-butoxybenzoyl)-6-methoxy-9-methyl-8-oxa-10-azatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CCCCOc(cc1)ccc1C(C(C(C1)c(cccc2OC)c2OC1(C)N1)C1=O)=O

InChI

InChI=1S/C24H27NO5/c1-4-5-13-29-16-11-9-15(10-12-16)21(26)20-18-14-24(2,25-23(20)27)30-22-17(18)7-6-8-19(22)28-3/h6-12,18,20H,4-5,13-14H2,1-3H3,(H,25,27)

InChI Key

IIAMPISSZHXXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15086380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.313

Water Solubility, LogSw

-4.35

Polar Surface Area

60.725

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.67

K273-0202 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K273-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K273-0202?
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What is the minimum amount of K273-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K273-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K273-0202
  • 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 K273-0202 available by request