1021-0518 Screening compound: 3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

1021-0518 Screening compound: 3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1021-0518 Screening compound: 3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1021-0518
3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

1021-0518

Molecular Formula

C24H16N2O8 (C24 H16 N2 O8)

Compound Name

3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

3-nitrophenyl 2-[4-(ethoxycarbonyl)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCOC(c(cc1)ccc1N(C(c(cc1)c2cc1C(Oc1cccc([N+]([O-])=O)c1)=O)=O)C2=O)=O

InChI

InChI=1S/C24H16N2O8/c1-2-33-23(29)14-6-9-16(10-7-14)25-21(27)19-11-8-15(12-20(19)22(25)28)24(30)34-18-5-3-4-17(13-18)26(31)32/h3-13H,2H2,1H3

InChI Key

QJORRNXKZQGJLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00593956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.40

Polar Surface Area

103.393

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 1021-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1021-0518?
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What is the minimum amount of 1021-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1021-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1021-0518
  • 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 1021-0518 available by request