2523-0189 Screening compound: 16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

2523-0189 Screening compound: 16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
2523-0189 Screening compound: 16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2523-0189
16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

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

2523-0189

Molecular Formula

C30H27NO5 (C30 H27 NO5)

Compound Name

16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid

IUPAC name

1618-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1-carboxylic acid

SMILES

CCCCCOc(cc1)ccc1N(C(C(C1C2(C(O)=O)c3c4cccc3)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C30H27NO5/c1-2-3-8-17-36-19-15-13-18(14-16-19)31-27(32)25-24-20-9-4-6-11-22(20)30(29(34)35,26(25)28(31)33)23-12-7-5-10-21(23)24/h4-7,9-16,24-26H,2-3,8,17H2,1H3,(H,34,35)

InChI Key

LHMICCDGFSGTEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-4.40

Polar Surface Area

64.275

Acid Dissociation Constant (pKa)

4.39

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 2523-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2523-0189?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2523-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2523-0189
  • 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 2523-0189 available by request