8005-9616 Screening compound: 2-{[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione

8005-9616 Screening compound: 2-{[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
8005-9616 Screening compound: 2-{[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9616
2-{[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-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

8005-9616

Molecular Formula

C22H16N2O4 (C22 H16 N2 O4)

Compound Name

2-{[(E)-1-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione

IUPAC name

6-[(E)-[(4-hydroxy-3-methoxyphenyl)methylidene]amino]-6-azatetracyclo[6.5.2.0^{415}.0^{1114}]pentadeca-138(15)911(14)-pentaene-57-dione

SMILES

COc(cc(/C=N/N(C(c1c2c3ccc(CC4)c2c4cc1)=O)C3=O)cc1)c1O

InChI

InChI=1S/C22H16N2O4/c1-28-18-10-12(2-9-17(18)25)11-23-24-21(26)15-7-5-13-3-4-14-6-8-16(22(24)27)20(15)19(13)14/h2,5-11,25H,3-4H2,1H3

InChI Key

JICGRRAMYWKRGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.317

Distribution Coefficient, logD

3.313

Water Solubility, LogSw

-3.40

Polar Surface Area

63.734

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

8005-9616 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-9616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9616?
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What is the minimum amount of 8005-9616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9616
  • 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 8005-9616 available by request