F216-0396 Screening compound: ethyl 4-[5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate

F216-0396 Screening compound: ethyl 4-[5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate
F216-0396 Screening compound: ethyl 4-[5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F216-0396
ethyl 4-[5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate

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

F216-0396

Molecular Formula

C24H22N4O5 (C24 H22 N4 O5)

Compound Name

ethyl 4-[5-methyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate

IUPAC name

ethyl 4-[5-methyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrrolo[32-d]pyrimidine-7-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cn(C)c(C(N2c3ccc(C)cc3)=O)c1NC2=O)=O)=O

InChI

InChI=1S/C24H22N4O5/c1-4-33-23(31)15-7-9-16(10-8-15)25-21(29)18-13-27(3)20-19(18)26-24(32)28(22(20)30)17-11-5-14(2)6-12-17/h5-13H,4H2,1-3H3,(H,25,29)(H,26,32)

InChI Key

ORKZXHYTTWCCJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08919798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.045

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.32

Polar Surface Area

84.159

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F216-0396 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F216-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F216-0396?
Check Price and Availability of F216-0396, 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 F216-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F216-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F216-0396
  • 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 F216-0396 available by request