F216-0168 Screening compound: ethyl 4-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate

F216-0168 Screening compound: ethyl 4-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-amido]benzoate
F216-0168 Screening compound: ethyl 4-[3-(4-chlorophenyl)-5-methyl-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 F216-0168
ethyl 4-[3-(4-chlorophenyl)-5-methyl-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

F216-0168

Molecular Formula

C23H19ClN4O5 (C23 H19 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c1cn(C)c(C(N2c(cc3)ccc3Cl)=O)c1NC2=O)=O)=O

InChI

InChI=1S/C23H19ClN4O5/c1-3-33-22(31)13-4-8-15(9-5-13)25-20(29)17-12-27(2)19-18(17)26-23(32)28(21(19)30)16-10-6-14(24)7-11-16/h4-12H,3H2,1-2H3,(H,25,29)(H,26,32)

InChI Key

RJITWCLFFWAXNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08919611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.88

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

3.216

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.84

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

13.00

F216-0168 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 F216-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F216-0168?
Check Price and Availability of F216-0168, 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 F216-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F216-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F216-0168
  • 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 F216-0168 available by request