8016-2399 Screening compound: 1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

8016-2399 Screening compound: 1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
8016-2399 Screening compound: 1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2399
1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

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

8016-2399

Molecular Formula

C23H20N2O8 (C23 H20 N2 O8)

Compound Name

1-butyl-5a,10,10-trihydroxy-4-(4-nitrophenyl)-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

IUPAC name

15-butyl-229-trihydroxy-11-(4-nitrophenyl)-10-oxa-15-azatetracyclo[7.6.0.0^{112}.0^{38}]pentadeca-3(8)4611-tetraene-1314-dione

SMILES

CCCCN(C1(C(c2c3cccc2)(O)O)C(C2=O)=C(c(cc4)ccc4[N+]([O-])=O)OC13O)C2=O

InChI

InChI=1S/C23H20N2O8/c1-2-3-12-24-20(27)18(26)17-19(13-8-10-14(11-9-13)25(31)32)33-23(30)16-7-5-4-6-15(16)22(28,29)21(17,23)24/h4-11,28-30H,2-3,12H2,1H3

InChI Key

XATZOOSJXQMREC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-3.46

Polar Surface Area

117.621

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-11.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.43

References: we are preparing a list of scientific research reports with 8016-2399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2399?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2399
  • 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 8016-2399 available by request