2922-2180 Screening compound: methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzoate

2922-2180 Screening compound: methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzoate
2922-2180 Screening compound: methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-2180
methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzoate

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

2922-2180

Molecular Formula

C24H14N2O6 (C24 H14 N2 O6)

Compound Name

methyl 2-[1,3-dioxo-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindol-2-yl]benzoate

IUPAC name

methyl 2-[13-dioxo-5-(4-oxo-4H-31-benzoxazin-2-yl)-23-dihydro-1H-isoindol-2-yl]benzoate

SMILES

COC(c(cccc1)c1N(C(c(cc1)c2cc1C(O1)=Nc(cccc3)c3C1=O)=O)C2=O)=O

InChI

InChI=1S/C24H14N2O6/c1-31-23(29)16-7-3-5-9-19(16)26-21(27)14-11-10-13(12-17(14)22(26)28)20-25-18-8-4-2-6-15(18)24(30)32-20/h2-12H,1H3

InChI Key

DQOKYVLGZSAFDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.501

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.87

Polar Surface Area

79.700

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

2922-2180 in Drug Discovery

Included in Screening Libraries

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 2922-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2922-2180?
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What is the minimum amount of 2922-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-2180
  • 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 2922-2180 available by request