8014-2397 Screening compound: 1-butyl-4-(3-furyl)-5a,10,10-trihydroxy-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

8014-2397 Screening compound: 1-butyl-4-(3-furyl)-5a,10,10-trihydroxy-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
8014-2397 Screening compound: 1-butyl-4-(3-furyl)-5a,10,10-trihydroxy-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 8014-2397
1-butyl-4-(3-furyl)-5a,10,10-trihydroxy-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

8014-2397

Molecular Formula

C21H19NO7 (C21 H19 NO7)

Compound Name

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

IUPAC name

15-butyl-11-(furan-3-yl)-229-trihydroxy-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(c4cocc4)OC13O)C2=O

InChI

InChI=1S/C21H19NO7/c1-2-3-9-22-18(24)16(23)15-17(12-8-10-28-11-12)29-21(27)14-7-5-4-6-13(14)20(25,26)19(15,21)22/h4-8,10-11,25-27H,2-3,9H2,1H3

InChI Key

TZPHHAZAWQHYOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-2.79

Polar Surface Area

92.043

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-10.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8014-2397 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2397
  • 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 8014-2397 available by request