8002-4836 Screening compound: 4,10-bis(4-nitrophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone

8002-4836 Screening compound: 4,10-bis(4-nitrophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone
8002-4836 Screening compound: 4,10-bis(4-nitrophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4836
4,10-bis(4-nitrophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone

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

8002-4836

Molecular Formula

C30H20N4O8 (C30 H20 N4 O8)

Compound Name

4,10-bis(4-nitrophenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone

IUPAC name

410-bis(4-nitrophenyl)-1-phenyl-410-diazatetracyclo[5.5.2.0^{26}.0^{812}]tetradec-13-ene-35911-tetrone

SMILES

[O-][N+](c(cc1)ccc1N(C(C(C12)C(C(C3C(N4c(cc5)ccc5[N+]([O-])=O)=O)C4=O)C=CC23c2ccccc2)=O)C1=O)=O

InChI

InChI=1S/C30H20N4O8/c35-26-22-21-14-15-30(16-4-2-1-3-5-16,24(22)28(37)31(26)17-6-10-19(11-7-17)33(39)40)25-23(21)27(36)32(29(25)38)18-8-12-20(13-9-18)34(41)42/h1-15,21-25H

InChI Key

BGGUXZNYTZCNFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00318414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.51

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.569

Water Solubility, LogSw

-2.72

Polar Surface Area

124.125

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

-9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8002-4836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4836?
Check Price and Availability of 8002-4836, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-4836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4836
  • 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 8002-4836 available by request