4334-0107 Screening compound: 2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

4334-0107 Screening compound: 2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
4334-0107 Screening compound: 2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-0107
2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-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

4334-0107

Molecular Formula

C23H13N3O7 (C23 H13 N3 O7)

Compound Name

2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-methoxy-5-nitrophenyl)-5-(4-oxo-4H-31-benzoxazin-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(ccc([N+]([O-])=O)c1)c1N(C(c(cc1)c2cc1C(O1)=Nc(cccc3)c3C1=O)=O)C2=O

InChI

InChI=1S/C23H13N3O7/c1-32-19-9-7-13(26(30)31)11-18(19)25-21(27)14-8-6-12(10-16(14)22(25)28)20-24-17-5-3-2-4-15(17)23(29)33-20/h2-11H,1H3

InChI Key

WEIYMNDMKCDMTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02031540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.37

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.97

Polar Surface Area

99.538

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 4334-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-0107?
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What is the minimum amount of 4334-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-0107
  • 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 4334-0107 available by request