8019-8516 Screening compound: butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

8019-8516 Screening compound: butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
8019-8516 Screening compound: butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8516
butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]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

8019-8516

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate

IUPAC name

butyl 4-[4-(4-methoxyphenyl)-1-methyl-25-dioxo-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidin-6-yl]benzoate

SMILES

CCCCOC(c(cc1)ccc1N(CC(N1C)=C2C(c(cc3)ccc3OC)NC1=O)C2=O)=O

InChI

InChI=1S/C25H27N3O5/c1-4-5-14-33-24(30)17-6-10-18(11-7-17)28-15-20-21(23(28)29)22(26-25(31)27(20)2)16-8-12-19(32-3)13-9-16/h6-13,22H,4-5,14-15H2,1-3H3,(H,26,31)/t22-/m0/s1

InChI Key

QPGFFLCDCBISAB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12033889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.01

Polar Surface Area

72.648

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

8019-8516 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-8516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8516?
Check Price and Availability of 8019-8516, 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 8019-8516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8516
  • 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 8019-8516 available by request