4917-0211 Screening compound: 4-{[(E)-1-(4-hydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

4917-0211 Screening compound: 4-{[(E)-1-(4-hydroxyphenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
4917-0211 Screening compound: 4-{[(E)-1-(4-hydroxyphenyl)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 4917-0211
4-{[(E)-1-(4-hydroxyphenyl)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

4917-0211

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(/C=N/N(C(C2C(CC3)C=CC3C22)=O)C2=O)cc1

InChI

InChI=1S/C17H16N2O3/c20-13-7-1-10(2-8-13)9-18-19-16(21)14-11-3-4-12(6-5-11)15(14)17(19)22/h1-4,7-9,11-12,14-15,20H,5-6H2

InChI Key

KCHASPZDZJEKBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01202658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.124

Distribution Coefficient, logD

1.123

Water Solubility, LogSw

-1.98

Polar Surface Area

57.636

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

4917-0211 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 4917-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4917-0211?
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What is the minimum amount of 4917-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4917-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4917-0211
  • 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 4917-0211 available by request