D718-0915 Screening compound: 9,9-dimethyl-3-(piperidin-1-yl)-1H,2H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,7-dione

D718-0915 Screening compound: 9,9-dimethyl-3-(piperidin-1-yl)-1H,2H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,7-dione
D718-0915 Screening compound: 9,9-dimethyl-3-(piperidin-1-yl)-1H,2H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0915
9,9-dimethyl-3-(piperidin-1-yl)-1H,2H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,7-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

D718-0915

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

9,9-dimethyl-3-(piperidin-1-yl)-1H,2H,7H,8H,9H,10H-pyrimido[4,5-c]isoquinoline-1,7-dione

IUPAC name

99-dimethyl-3-(piperidin-1-yl)-1H2H7H8H9H10H-pyrimido[45-c]isoquinoline-17-dione

SMILES

CC(C)(Cc1c2cnc(N=C(N3)N4CCCCC4)c1C3=O)CC2=O

InChI

InChI=1S/C18H22N4O2/c1-18(2)8-11-12(13(23)9-18)10-19-15-14(11)16(24)21-17(20-15)22-6-4-3-5-7-22/h10H,3-9H2,1-2H3,(H,19,20,21,24)

InChI Key

XFVSYQRFYBFDJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11082945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-2.86

Polar Surface Area

60.839

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D718-0915 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0915?
Check Price and Availability of D718-0915, 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 D718-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0915
  • 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 D718-0915 available by request