2372-3516 Screening compound: 4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

2372-3516 Screening compound: 4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid
2372-3516 Screening compound: 4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2372-3516
4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic 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

2372-3516

Molecular Formula

C23H16N2O9 (C23 H16 N2 O9)

Compound Name

4,5-dimethoxy-2-[5-(4-nitrophenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

IUPAC name

45-dimethoxy-2-[5-(4-nitrophenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoic acid

SMILES

COc(c(OC)c1)cc(C(O)=O)c1N(C(c(cc1)c2cc1Oc(cc1)ccc1[N+]([O-])=O)=O)C2=O

InChI

InChI=1S/C23H16N2O9/c1-32-19-10-17(23(28)29)18(11-20(19)33-2)24-21(26)15-8-7-14(9-16(15)22(24)27)34-13-5-3-12(4-6-13)25(30)31/h3-11H,1-2H3,(H,28,29)

InChI Key

JQYDQNIHQGOLOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.39

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

-0.476

Water Solubility, LogSw

-4.33

Polar Surface Area

112.377

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

-7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2372-3516 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2372-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2372-3516?
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What is the minimum amount of 2372-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2372-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2372-3516
  • 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 2372-3516 available by request