2922-1822 Screening compound: 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

2922-1822 Screening compound: 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
2922-1822 Screening compound: 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-1822
5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

2922-1822

Molecular Formula

C22H13N3O4 (C22 H13 N3 O4)

Compound Name

5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(4-oxo-4H-31-benzoxazin-2-yl)-2-[(pyridin-3-yl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(cc1)c2cc1C(O1)=Nc(cccc3)c3C1=O)N(Cc1cnccc1)C2=O

InChI

InChI=1S/C22H13N3O4/c26-20-15-8-7-14(19-24-18-6-2-1-5-16(18)22(28)29-19)10-17(15)21(27)25(20)12-13-4-3-9-23-11-13/h1-11H,12H2

InChI Key

FIWAUSUQRLTCQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-3.15

Polar Surface Area

68.956

Acid Dissociation Constant (pKa)

25.75

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2922-1822 in Drug Discovery

Included in Screening Libraries

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

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2922-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-1822?
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What is the minimum amount of 2922-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-1822
  • 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 2922-1822 available by request