7534-4364 Screening compound: ethyl 2-(4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate

7534-4364 Screening compound: ethyl 2-(4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate
7534-4364 Screening compound: ethyl 2-(4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7534-4364
ethyl 2-(4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate

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

7534-4364

Molecular Formula

C29H22N2O6 (C29 H22 N2 O6)

Compound Name

ethyl 2-(4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate

IUPAC name

ethyl 2-(4-{4-methyl-13-dioxo-1H2H3H-pyrrolo[34-c]quinolin-2-yl}benzoyloxy)-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)OC(c(cc1)ccc1N(C(c1c2c3ccccc3nc1C)=O)C2=O)=O)=O

InChI

InChI=1S/C29H22N2O6/c1-3-36-29(35)25(18-9-5-4-6-10-18)37-28(34)19-13-15-20(16-14-19)31-26(32)23-17(2)30-22-12-8-7-11-21(22)24(23)27(31)33/h4-16,25H,3H2,1-2H3/t25-/m1/s1

InChI Key

VRHSHIMMXJJDKY-RUZDIDTESA-N

MDL Number (MFCD)

MFCD04082245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.34

Polar Surface Area

78.675

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

7534-4364 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7534-4364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7534-4364?
Check Price and Availability of 7534-4364, 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 7534-4364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7534-4364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7534-4364
  • 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 7534-4364 available by request