F216-0553 Screening compound: 3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

F216-0553 Screening compound: 3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
F216-0553 Screening compound: 3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F216-0553
3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-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

F216-0553

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-benzyl-5-methyl-7-(3-methylpiperidine-1-carbonyl)-1H2H3H4H5H-pyrrolo[32-d]pyrimidine-24-dione

SMILES

CC(CCC1)CN1C(c1cn(C)c(C(N2Cc3ccccc3)=O)c1NC2=O)=O

InChI

InChI=1S/C21H24N4O3/c1-14-7-6-10-24(11-14)19(26)16-13-23(2)18-17(16)22-21(28)25(20(18)27)12-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,22,28)/t14-/m0/s1

InChI Key

HWKCGDFASOGRPW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08919957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.89

Polar Surface Area

57.507

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

F216-0553 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F216-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F216-0553?
Check Price and Availability of F216-0553, 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 F216-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F216-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F216-0553
  • 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 F216-0553 available by request