F216-0540 Screening compound: 3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

F216-0540 Screening compound: 3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
F216-0540 Screening compound: 3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F216-0540
3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

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

F216-0540

Molecular Formula

C22H19ClN4O4 (C22 H19 ClN4 O4)

Compound Name

3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

IUPAC name

3-benzyl-N-(5-chloro-2-methoxyphenyl)-5-methyl-24-dioxo-1H2H3H4H5H-pyrrolo[32-d]pyrimidine-7-carboxamide

SMILES

Cn(cc1C(Nc(cc(cc2)Cl)c2OC)=O)c(C(N2Cc3ccccc3)=O)c1NC2=O

InChI

InChI=1S/C22H19ClN4O4/c1-26-12-15(20(28)24-16-10-14(23)8-9-17(16)31-2)18-19(26)21(29)27(22(30)25-18)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,24,28)(H,25,30)

InChI Key

MYNUGPORZQJDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08919944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.59

Polar Surface Area

70.949

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F216-0540 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F216-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F216-0540?
Check Price and Availability of F216-0540, 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 F216-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F216-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F216-0540
  • 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 F216-0540 available by request