6055-0086 Screening compound: ethyl 2-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetate

6055-0086 Screening compound: ethyl 2-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetate
6055-0086 Screening compound: ethyl 2-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6055-0086
ethyl 2-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetate

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

6055-0086

Molecular Formula

C18H19N3O4 (C18 H19 N3 O4)

Compound Name

ethyl 2-{1,3-dimethyl-2,4-dioxo-5-phenyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidin-6-yl}acetate

IUPAC name

ethyl 2-{13-dimethyl-24-dioxo-5-phenyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidin-6-yl}acetate

SMILES

CCOC(Cn(cc1N(C)C(N2C)=O)c(-c3ccccc3)c1C2=O)=O

InChI

InChI=1S/C18H19N3O4/c1-4-25-14(22)11-21-10-13-15(16(21)12-8-6-5-7-9-12)17(23)20(3)18(24)19(13)2/h5-10H,4,11H2,1-3H3

InChI Key

BBIPOYDOYQGIAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.15

Polar Surface Area

52.758

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6055-0086 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 6055-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6055-0086?
Check Price and Availability of 6055-0086, 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 6055-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6055-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6055-0086
  • 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 6055-0086 available by request