8019-9653 Screening compound: 9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

8019-9653 Screening compound: 9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione
8019-9653 Screening compound: 9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9653
9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

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

8019-9653

Molecular Formula

C18H22N4O4 (C18 H22 N4 O4)

Compound Name

9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

IUPAC name

9-methyl-4-[2-(morpholin-4-yl)ethyl]-1H2H3H4H7H8H9H10H-pyrimido[45-c]isoquinoline-137-trione

SMILES

CC(Cc1c(C(NC(N2CCN3CCOCC3)=O)=O)c2ncc11)CC1=O

InChI

InChI=1S/C18H22N4O4/c1-11-8-12-13(14(23)9-11)10-19-16-15(12)17(24)20-18(25)22(16)3-2-21-4-6-26-7-5-21/h10-11H,2-9H2,1H3,(H,20,24,25)/t11-/m1/s1

InChI Key

OBPNNCLEWAIVTQ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD10479565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-2.34

Polar Surface Area

75.676

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

8019-9653 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with 8019-9653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9653?
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What is the minimum amount of 8019-9653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9653
  • 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 8019-9653 available by request