8009-3148 Screening compound: 1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid

8009-3148 Screening compound: 1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid
8009-3148 Screening compound: 1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3148
1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid

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

8009-3148

Molecular Formula

C23H12N2O6 (C23 H12 N2 O6)

Compound Name

1,3-dioxo-2-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-5-isoindolinecarboxylic acid

IUPAC name

13-dioxo-2-[4-(4-oxo-4H-31-benzoxazin-2-yl)phenyl]-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2c(cc3)ccc3C(O3)=Nc(cccc4)c4C3=O)=O)c1C2=O)=O

InChI

InChI=1S/C23H12N2O6/c26-20-15-10-7-13(22(28)29)11-17(15)21(27)25(20)14-8-5-12(6-9-14)19-24-18-4-2-1-3-16(18)23(30)31-19/h1-11H,(H,28,29)

InChI Key

PEGXYQWLLGILFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

-0.672

Water Solubility, LogSw

-3.81

Polar Surface Area

87.235

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-3148 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-3148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3148?
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What is the minimum amount of 8009-3148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3148
  • 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 8009-3148 available by request