2622-0035 Screening compound: 3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindol-1-one

2622-0035 Screening compound: 3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindol-1-one
2622-0035 Screening compound: 3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2622-0035
3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindol-1-one

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

2622-0035

Molecular Formula

C13H13N3O3 (C13 H13 N3 O3)

Compound Name

3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-hydroxy-2-(2-hydroxyethyl)-3-(1H-imidazol-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

OCCN(C(c1c2cccc1)(c1ncc[nH]1)O)C2=O

InChI

InChI=1S/C13H13N3O3/c17-8-7-16-11(18)9-3-1-2-4-10(9)13(16,19)12-14-5-6-15-12/h1-6,17,19H,7-8H2,(H,14,15)/t13-/m0/s1

InChI Key

FPKGFACPCBWBPQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01436247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.209

Distribution Coefficient, logD

0.209

Water Solubility, LogSw

-1.93

Polar Surface Area

69.402

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

2622-0035 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2622-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2622-0035?
Check Price and Availability of 2622-0035, 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 2622-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2622-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2622-0035
  • 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 2622-0035 available by request