2922-1916 Screening compound: 2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate

2922-1916 Screening compound: 2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate
2922-1916 Screening compound: 2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2922-1916
2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate

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

2922-1916

Molecular Formula

C24H13N3O8 (C24 H13 N3 O8)

Compound Name

2-[3-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-7-yl acetate

IUPAC name

2-[3-(5-nitro-13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]-4-oxo-4H-31-benzoxazin-7-yl acetate

SMILES

CC(Oc(cc1)cc(N=C(c2cccc(N(C(c(cc3)c4cc3[N+]([O-])=O)=O)C4=O)c2)O2)c1C2=O)=O

InChI

InChI=1S/C24H13N3O8/c1-12(28)34-16-6-8-18-20(11-16)25-21(35-24(18)31)13-3-2-4-14(9-13)26-22(29)17-7-5-15(27(32)33)10-19(17)23(26)30/h2-11H,1H3

InChI Key

PNZLMCBRJLTUHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01137339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.38

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.225

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.89

Polar Surface Area

112.960

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

2922-1916 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 2922-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2922-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2922-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2922-1916
  • 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 2922-1916 available by request