8009-1950 Screening compound: 17-(4-butoxyphenyl)-1-nitro-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

8009-1950 Screening compound: 17-(4-butoxyphenyl)-1-nitro-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
8009-1950 Screening compound: 17-(4-butoxyphenyl)-1-nitro-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 8009-1950
17-(4-butoxyphenyl)-1-nitro-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

8009-1950

Molecular Formula

C28H24N2O5 (C28 H24 N2 O5)

Compound Name

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

SMILES

CCCCOc(cc1)ccc1N(C(C(C1C2(c3c4cccc3)[N+]([O-])=O)C4c3c2cccc3)=O)C1=O

InChI

InChI=1S/C28H24N2O5/c1-2-3-16-35-18-14-12-17(13-15-18)29-26(31)24-23-19-8-4-6-10-21(19)28(30(33)34,25(24)27(29)32)22-11-7-5-9-20(22)23/h4-15,23-25H,2-3,16H2,1H3

InChI Key

GOLRPYWOPDWENP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.66

Polar Surface Area

67.303

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8009-1950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1950?
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What is the minimum amount of 8009-1950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1950
  • 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 8009-1950 available by request