D718-1342 Screening compound: 4-benzyl-9,9-dimethyl-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

D718-1342 Screening compound: 4-benzyl-9,9-dimethyl-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione
D718-1342 Screening compound: 4-benzyl-9,9-dimethyl-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 D718-1342
4-benzyl-9,9-dimethyl-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

D718-1342

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

4-benzyl-9,9-dimethyl-1H,2H,3H,4H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

IUPAC name

4-benzyl-99-dimethyl-1H2H3H4H7H8H9H10H-pyrimido[45-c]isoquinoline-137-trione

SMILES

CC(C)(Cc1c(C(NC(N2Cc3ccccc3)=O)=O)c2ncc11)CC1=O

InChI

InChI=1S/C20H19N3O3/c1-20(2)8-13-14(15(24)9-20)10-21-17-16(13)18(25)22-19(26)23(17)11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H,22,25,26)

InChI Key

RCIKUORCZZWTGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10479585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.308

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.76

Polar Surface Area

63.807

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D718-1342 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1342?
Check Price and Availability of D718-1342, 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 D718-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1342
  • 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 D718-1342 available by request