2054-0817 Screening compound: 17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

2054-0817 Screening compound: 17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione
2054-0817 Screening compound: 17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2054-0817
17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

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

2054-0817

Molecular Formula

C26H19NO3 (C26 H19 NO3)

Compound Name

17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9(14),10,12-hexaene-16,18-dione

IUPAC name

17-(3-acetylphenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2469(14)1012-hexaene-1618-dione

SMILES

CC(c1cccc(N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1)=O

InChI

InChI=1S/C26H19NO3/c1-14(28)15-7-6-8-16(13-15)27-25(29)23-21-17-9-2-3-10-18(17)22(24(23)26(27)30)20-12-5-4-11-19(20)21/h2-13,21-24H,1H3

InChI Key

SNFFLUGDECKNNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.141

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.31

Polar Surface Area

42.276

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-8.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2054-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2054-0817?
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What is the minimum amount of 2054-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2054-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2054-0817
  • 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 2054-0817 available by request