3226-2129 Screening compound: 5-hydroxy-2-[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoic acid

3226-2129 Screening compound: 5-hydroxy-2-[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoic acid
3226-2129 Screening compound: 5-hydroxy-2-[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3226-2129
5-hydroxy-2-[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]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

3226-2129

Molecular Formula

C17H11N3O8 (C17 H11 N3 O8)

Compound Name

5-hydroxy-2-[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoic acid

IUPAC name

5-hydroxy-2-[2-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamido]benzoic acid

SMILES

[O-][N+](c(cc1)cc(C(N2CC(Nc(ccc(O)c3)c3C(O)=O)=O)=O)c1C2=O)=O

InChI

InChI=1S/C17H11N3O8/c21-9-2-4-13(12(6-9)17(25)26)18-14(22)7-19-15(23)10-3-1-8(20(27)28)5-11(10)16(19)24/h1-6,21H,7H2,(H,18,22)(H,25,26)

InChI Key

HIIJIVRSLWLWQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.29

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

-2.700

Water Solubility, LogSw

-2.48

Polar Surface Area

131.350

Acid Dissociation Constant (pKa)

3.26

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3226-2129 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3226-2129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3226-2129?
Check Price and Availability of 3226-2129, 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 3226-2129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3226-2129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3226-2129
  • 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 3226-2129 available by request