4334-0985 Screening compound: 2-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-amido}-4,5-dimethoxybenzoic acid

4334-0985 Screening compound: 2-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-amido}-4,5-dimethoxybenzoic acid
4334-0985 Screening compound: 2-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-amido}-4,5-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-0985
2-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-amido}-4,5-dimethoxybenzoic 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

4334-0985

Molecular Formula

C23H22N2O8 (C23 H22 N2 O8)

Compound Name

2-{1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-amido}-4,5-dimethoxybenzoic acid

IUPAC name

2-{13-dioxo-2-[(oxolan-2-yl)methyl]-23-dihydro-1H-isoindole-5-amido}-45-dimethoxybenzoic acid

SMILES

COc(c(OC)c1)cc(C(O)=O)c1NC(c(cc1)cc(C(N2CC3OCCC3)=O)c1C2=O)=O

InChI

InChI=1S/C23H22N2O8/c1-31-18-9-16(23(29)30)17(10-19(18)32-2)24-20(26)12-5-6-14-15(8-12)22(28)25(21(14)27)11-13-4-3-7-33-13/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,24,26)(H,29,30)/t13-/m1/s1

InChI Key

BPZOEGYBUGVRCE-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02032312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

-1.669

Water Solubility, LogSw

-2.44

Polar Surface Area

104.208

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4334-0985 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleoside Mimetics Library (2197 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 4334-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-0985?
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What is the minimum amount of 4334-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-0985
  • 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 4334-0985 available by request