8006-9494 Screening compound: 4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid

8006-9494 Screening compound: 4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid
8006-9494 Screening compound: 4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9494
4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid

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

8006-9494

Molecular Formula

C30H14N4O11 (C30 H14 N4 O11)

Compound Name

4-[2,6-bis(4-nitrophenyl)-1,3,5,7-tetraoxo-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-4-carbonyl]benzoic acid

IUPAC name

4-[26-bis(4-nitrophenyl)-1357-tetraoxo-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-4-carbonyl]benzoic acid

SMILES

[O-][N+](c(cc1)ccc1N(C(c1cc(C(N(C2=O)c(cc3)ccc3[N+]([O-])=O)=O)c2c(C(c(cc2)ccc2C(O)=O)=O)c11)=O)C1=O)=O

InChI

InChI=1S/C30H14N4O11/c35-25(14-1-3-15(4-2-14)30(40)41)24-22-20(26(36)31(28(22)38)16-5-9-18(10-6-16)33(42)43)13-21-23(24)29(39)32(27(21)37)17-7-11-19(12-8-17)34(44)45/h1-13H,(H,40,41)

InChI Key

OZABTFWOAAAYPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00809701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.46

Hydrogen Bond Acceptors Count

21.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

-0.470

Water Solubility, LogSw

-3.54

Polar Surface Area

166.160

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-16.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-9494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9494?
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What is the minimum amount of 8006-9494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9494
  • 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 8006-9494 available by request