8006-6801 Screening compound: 4-{[(E)-1-(2,4-dihydroxy-5-nitrophenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione

8006-6801 Screening compound: 4-{[(E)-1-(2,4-dihydroxy-5-nitrophenyl)methylidene]amino}-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
8006-6801 Screening compound: 4-{[(E)-1-(2,4-dihydroxy-5-nitrophenyl)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 8006-6801
4-{[(E)-1-(2,4-dihydroxy-5-nitrophenyl)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

8006-6801

Molecular Formula

C17H15N3O6 (C17 H15 N3 O6)

Compound Name

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

IUPAC name

4-[(E)-[(24-dihydroxy-5-nitrophenyl)methylidene]amino]-4-azatricyclo[5.2.2.0^{26}]undec-8-ene-35-dione

SMILES

[O-][N+](c(cc(/C=N/N(C(C1C(CC2)C=CC2C11)=O)C1=O)c(O)c1)c1O)=O

InChI

InChI=1S/C17H15N3O6/c21-12-6-13(22)11(20(25)26)5-10(12)7-18-19-16(23)14-8-1-2-9(4-3-8)15(14)17(19)24/h1-2,5-9,14-15,21-22H,3-4H2

InChI Key

JWEYZPHISMAFPP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.256

Distribution Coefficient, logD

0.445

Water Solubility, LogSw

-1.75

Polar Surface Area

106.196

Acid Dissociation Constant (pKa)

6.66

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with 8006-6801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6801?
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What is the minimum amount of 8006-6801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6801
  • 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 8006-6801 available by request