8020-4410 Screening compound: 3-[(4-chlorophenyl)methyl]-9,10-dimethoxy-2H,3H,4H,6H,7H-pyrimido[4,3-a]isoquinoline-2,4-dione

8020-4410 Screening compound: 3-[(4-chlorophenyl)methyl]-9,10-dimethoxy-2H,3H,4H,6H,7H-pyrimido[4,3-a]isoquinoline-2,4-dione
8020-4410 Screening compound: 3-[(4-chlorophenyl)methyl]-9,10-dimethoxy-2H,3H,4H,6H,7H-pyrimido[4,3-a]isoquinoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4410
3-[(4-chlorophenyl)methyl]-9,10-dimethoxy-2H,3H,4H,6H,7H-pyrimido[4,3-a]isoquinoline-2,4-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

8020-4410

Molecular Formula

C21H19ClN2O4 (C21 H19 ClN2 O4)

Compound Name

3-[(4-chlorophenyl)methyl]-9,10-dimethoxy-2H,3H,4H,6H,7H-pyrimido[4,3-a]isoquinoline-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-910-dimethoxy-2H3H4H6H7H-pyrimido[43-a]isoquinoline-24-dione

SMILES

COc(c(OC)c1)cc(CCN2C(N3Cc(cc4)ccc4Cl)=O)c1C2=CC3=O

InChI

InChI=1S/C21H19ClN2O4/c1-27-18-9-14-7-8-23-17(16(14)10-19(18)28-2)11-20(25)24(21(23)26)12-13-3-5-15(22)6-4-13/h3-6,9-11H,7-8,12H2,1-2H3

InChI Key

FPVYCKOXILGALV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.831

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.39

Polar Surface Area

47.324

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

-7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8020-4410 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-4410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4410?
Check Price and Availability of 8020-4410, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-4410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4410
  • 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 8020-4410 available by request