4334-1827 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-5-hydroxybenzoic acid

4334-1827 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-5-hydroxybenzoic acid
4334-1827 Screening compound: 2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-5-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1827
2-[1,3-dioxo-2-(2,4,6-trimethylphenyl)-2,3-dihydro-1H-isoindole-5-amido]-5-hydroxybenzoic 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

4334-1827

Molecular Formula

C25H20N2O6 (C25 H20 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H20N2O6/c1-12-8-13(2)21(14(3)9-12)27-23(30)17-6-4-15(10-18(17)24(27)31)22(29)26-20-7-5-16(28)11-19(20)25(32)33/h4-11,28H,1-3H3,(H,26,29)(H,32,33)

InChI Key

LUSFHWLMDSKSFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.035

Distribution Coefficient, logD

0.481

Water Solubility, LogSw

-4.40

Polar Surface Area

96.697

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4334-1827 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 4334-1827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1827?
Check Price and Availability of 4334-1827, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4334-1827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1827
  • 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 4334-1827 available by request