8013-1136 Screening compound: 1-butyl-4-(4-chlorophenyl)-5a,10,10-trihydroxy-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione

8013-1136 Screening compound: 1-butyl-4-(4-chlorophenyl)-5a,10,10-trihydroxy-5a,10-dihydro-1H-indeno[1',2':2,3]furo[3,4-b]pyrrole-2,3-dione
8013-1136 Screening compound: 1-butyl-4-(4-chlorophenyl)-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 8013-1136
1-butyl-4-(4-chlorophenyl)-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

8013-1136

Molecular Formula

C23H20ClNO6 (C23 H20 ClNO6)

Compound Name

1-butyl-4-(4-chlorophenyl)-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-(4-chlorophenyl)-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(c(cc4)ccc4Cl)OC13O)C2=O

InChI

InChI=1S/C23H20ClNO6/c1-2-3-12-25-20(27)18(26)17-19(13-8-10-14(24)11-9-13)31-23(30)16-7-5-4-6-15(16)22(28,29)21(17,23)25/h4-11,28-30H,2-3,12H2,1H3

InChI Key

FSFJSHVOCARFOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-4.16

Polar Surface Area

84.240

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-11.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

8013-1136 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1136?
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What is the minimum amount of 8013-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1136
  • 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 8013-1136 available by request