4917-0278 Screening compound: 4-{[(E)-1-(3,4-dihydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

4917-0278 Screening compound: 4-{[(E)-1-(3,4-dihydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
4917-0278 Screening compound: 4-{[(E)-1-(3,4-dihydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4917-0278
4-{[(E)-1-(3,4-dihydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-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

4917-0278

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

4-{[(E)-1-(3,4-dihydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

IUPAC name

4-[(E)-[(34-dihydroxyphenyl)methylidene]amino]-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

Oc(ccc(/C=N/N(C(C1C(CC2)C=CC2C11)=O)C1=O)c1)c1O

InChI

InChI=1S/C17H16N2O4/c20-12-6-1-9(7-13(12)21)8-18-19-16(22)14-10-2-3-11(5-4-10)15(14)17(19)23/h1-3,6-8,10-11,14-15,20-21H,4-5H2

InChI Key

KSLXZVZLLJCENW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03761692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.801

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-1.67

Polar Surface Area

73.116

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-5.39

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

4917-0278 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4917-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4917-0278?
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What is the minimum amount of 4917-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4917-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4917-0278
  • 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 4917-0278 available by request