6527-0135 Screening compound: 6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-methoxybenzoate

6527-0135 Screening compound: 6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-methoxybenzoate
6527-0135 Screening compound: 6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6527-0135
6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-methoxybenzoate

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

6527-0135

Molecular Formula

C20H12ClNO5 (C20 H12 ClNO5)

Compound Name

6-chloro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl 4-methoxybenzoate

IUPAC name

8-chloro-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaen-3-yl 4-methoxybenzoate

SMILES

COc(cc1)ccc1C(ON(C(c(cccc12)c1c1ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C20H12ClNO5/c1-26-12-7-5-11(6-8-12)20(25)27-22-18(23)14-4-2-3-13-16(21)10-9-15(17(13)14)19(22)24/h2-10H,1H3

InChI Key

YEWDQDPPPZKFJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06435247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.27

Polar Surface Area

59.299

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

6527-0135 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6527-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6527-0135?
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What is the minimum amount of 6527-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6527-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6527-0135
  • 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 6527-0135 available by request