2523-0158 Screening compound: 17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

2523-0158 Screening compound: 17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
2523-0158 Screening compound: 17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2523-0158
17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-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

2523-0158

Molecular Formula

C26H20FNO3 (C26 H20 FNO3)

Compound Name

17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

IUPAC name

17-(4-fluorophenyl)-1-(1-hydroxyethyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

CC(C(C(C(C12)C(N3c(cc4)ccc4F)=O)C3=O)(c3c2cccc3)c2c1cccc2)O

InChI

InChI=1S/C26H20FNO3/c1-14(29)26-19-8-4-2-6-17(19)21(18-7-3-5-9-20(18)26)22-23(26)25(31)28(24(22)30)16-12-10-15(27)11-13-16/h2-14,21-23,29H,1H3

InChI Key

XSMFTBDGRMBIKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.57

Polar Surface Area

44.460

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

23.10

2523-0158 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2523-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2523-0158?
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What is the minimum amount of 2523-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2523-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2523-0158
  • 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 2523-0158 available by request