8004-0216 Screening compound: N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

8004-0216 Screening compound: N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
8004-0216 Screening compound: N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0216
N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

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

8004-0216

Molecular Formula

C42H24N6O11 (C42 H24 N6 O11)

Compound Name

N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(3-nitrophenyl)-2-[4-(4-{5-[(3-nitrophenyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}phenoxy)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxamide

SMILES

[O-][N+](c1cccc(NC(c(cc2)cc(C(N3c(cc4)ccc4Oc(cc4)ccc4N(C(c(cc4)c5cc4C(Nc4cccc([N+]([O-])=O)c4)=O)=O)C5=O)=O)c2C3=O)=O)c1)=O

InChI

InChI=1S/C42H24N6O11/c49-37(43-25-3-1-5-29(21-25)47(55)56)23-7-17-33-35(19-23)41(53)45(39(33)51)27-9-13-31(14-10-27)59-32-15-11-28(12-16-32)46-40(52)34-18-8-24(20-36(34)42(46)54)38(50)44-26-4-2-6-30(22-26)48(57)58/h1-22H,(H,43,49)(H,44,50)

InChI Key

GKIUIYDGZBWSFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00303901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

788.69

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

7.298

Distribution Coefficient, logD

7.060

Water Solubility, LogSw

-6.19

Polar Surface Area

177.214

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8004-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0216?
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What is the minimum amount of 8004-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0216
  • 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 8004-0216 available by request