2036-0804 Screening compound: 4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2036-0804 Screening compound: 4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
2036-0804 Screening compound: 4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-0804
4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

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

2036-0804

Molecular Formula

C29H13ClN4O9 (C29 H13 ClN4 O9)

Compound Name

4-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

IUPAC name

4-(4-chlorobenzoyl)-26-bis(3-nitrophenyl)-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-1357-tetrone

SMILES

[O-][N+](c1cccc(N(C(c(cc2C(N3c4cc([N+]([O-])=O)ccc4)=O)c4c(C(c(cc5)ccc5Cl)=O)c2C3=O)=O)C4=O)c1)=O

InChI

InChI=1S/C29H13ClN4O9/c30-15-9-7-14(8-10-15)25(35)24-22-20(26(36)31(28(22)38)16-3-1-5-18(11-16)33(40)41)13-21-23(24)29(39)32(27(21)37)17-4-2-6-19(12-17)34(42)43/h1-13H

InChI Key

XBCQWDJEIMDSLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.9

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

3.782

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.76

Polar Surface Area

137.751

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-14.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2036-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-0804?
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What is the minimum amount of 2036-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-0804
  • 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 2036-0804 available by request