4334-1422 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-4,5-dimethoxybenzoic acid

4334-1422 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-4,5-dimethoxybenzoic acid
4334-1422 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-4,5-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1422
2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-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

4334-1422

Molecular Formula

C27H24N2O7 (C27 H24 N2 O7)

Compound Name

2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-4,5-dimethoxybenzoic acid

IUPAC name

2-[13-dioxo-2-(246-trimethylphenyl)-23-dihydro-1H-isoindole-5-amido]-45-dimethoxybenzoic acid

SMILES

Cc(cc1C)cc(C)c1N(C(c(cc1)c2cc1C(Nc(cc(c(OC)c1)OC)c1C(O)=O)=O)=O)C2=O

InChI

InChI=1S/C27H24N2O7/c1-13-8-14(2)23(15(3)9-13)29-25(31)17-7-6-16(10-18(17)26(29)32)24(30)28-20-12-22(36-5)21(35-4)11-19(20)27(33)34/h6-12H,1-5H3,(H,28,30)(H,33,34)

InChI Key

WJDHJZFNSPXSEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01973996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-4.47

Polar Surface Area

94.340

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

4334-1422 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 4334-1422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1422?
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What is the minimum amount of 4334-1422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1422
  • 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 4334-1422 available by request