8009-0169 Screening compound: propyl 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoate

8009-0169 Screening compound: propyl 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoate
8009-0169 Screening compound: propyl 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0169
propyl 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoate

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

8009-0169

Molecular Formula

C28H23NO4 (C28 H23 NO4)

Compound Name

propyl 4-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]benzoate

IUPAC name

propyl 4-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-2(7)359(14)1012-hexaen-17-yl}benzoate

SMILES

CCCOC(c(cc1)ccc1N(C(C(C1C2c3c4cccc3)C4c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C28H23NO4/c1-2-15-33-28(32)16-11-13-17(14-12-16)29-26(30)24-22-18-7-3-4-8-19(18)23(25(24)27(29)31)21-10-6-5-9-20(21)22/h3-14,22-25H,2,15H2,1H3

InChI Key

VLVLARXXANXMPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01362218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.57

Polar Surface Area

49.497

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8009-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0169?
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What is the minimum amount of 8009-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0169
  • 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 8009-0169 available by request