3406-0272 Screening compound: 1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-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

3406-0272 Screening compound: 1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-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
3406-0272 Screening compound: 1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-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 3406-0272
1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-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

3406-0272

Molecular Formula

C26H20N2O5 (C26 H20 N2 O5)

Compound Name

1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-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

1-(hydroxymethyl)-17-(4-methyl-3-nitrophenyl)-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

Cc(ccc(N(C(C(C1C2(CO)c3c4cccc3)C4c3c2cccc3)=O)C1=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C26H20N2O5/c1-14-10-11-15(12-20(14)28(32)33)27-24(30)22-21-16-6-2-4-8-18(16)26(13-29,23(22)25(27)31)19-9-5-3-7-17(19)21/h2-12,21-23,29H,13H2,1H3

InChI Key

ONQSCDNLKPRECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01593831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.87

Polar Surface Area

78.645

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-8.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 3406-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3406-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3406-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3406-0272
  • 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 3406-0272 available by request