5871-0068 Screening compound: (4-bromophenyl)methyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate

5871-0068 Screening compound: (4-bromophenyl)methyl 3-{4-methyl-1,3-dioxo-1H,2H,3H-pyrrolo[3,4-c]quinolin-2-yl}benzoate
5871-0068 Screening compound: (4-bromophenyl)methyl 3-{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 5871-0068
(4-bromophenyl)methyl 3-{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

5871-0068

Molecular Formula

C26H17BrN2O4 (C26 H17 BrN2 O4)

Compound Name

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

IUPAC name

(4-bromophenyl)methyl 3-{4-methyl-13-dioxo-1H2H3H-pyrrolo[34-c]quinolin-2-yl}benzoate

SMILES

Cc1nc2ccccc2c(C(N2c3cccc(C(OCc(cc4)ccc4Br)=O)c3)=O)c1C2=O

InChI

InChI=1S/C26H17BrN2O4/c1-15-22-23(20-7-2-3-8-21(20)28-15)25(31)29(24(22)30)19-6-4-5-17(13-19)26(32)33-14-16-9-11-18(27)12-10-16/h2-13H,14H2,1H3

InChI Key

HQYUYMWCKAOHKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03630167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.34

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

5.029

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.36

Polar Surface Area

58.645

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 5871-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-0068?
Check Price and Availability of 5871-0068, 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 5871-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-0068
  • 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 5871-0068 available by request