5536-0940 Screening compound: (4-chlorophenyl)methyl 4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

5536-0940 Screening compound: (4-chlorophenyl)methyl 4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate
5536-0940 Screening compound: (4-chlorophenyl)methyl 4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5536-0940
(4-chlorophenyl)methyl 4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-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

5536-0940

Molecular Formula

C26H17ClN2O4 (C26 H17 ClN2 O4)

Compound Name

(4-chlorophenyl)methyl 4-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

IUPAC name

(4-chlorophenyl)methyl 4-{4-methyl-13-dioxo-1H2H3H-pyrrolo[34-c]quinolin-2-yl}benzoate

SMILES

Cc1nc2ccccc2c(C(N2c(cc3)ccc3C(OCc(cc3)ccc3Cl)=O)=O)c1C2=O

InChI

InChI=1S/C26H17ClN2O4/c1-15-22-23(20-4-2-3-5-21(20)28-15)25(31)29(24(22)30)19-12-8-17(9-13-19)26(32)33-14-16-6-10-18(27)11-7-16/h2-13H,14H2,1H3

InChI Key

XYBFQUAQZGVFSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03604839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.796

Distribution Coefficient, logD

4.796

Water Solubility, LogSw

-5.18

Polar Surface Area

58.645

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

5536-0940 in Drug Discovery

Included in Screening Libraries

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 5536-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5536-0940?
Check Price and Availability of 5536-0940, 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 5536-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5536-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5536-0940
  • 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 5536-0940 available by request