8009-9590 Screening compound: cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate

8009-9590 Screening compound: cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate
8009-9590 Screening compound: cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9590
cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate

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

8009-9590

Molecular Formula

C20H23NO5 (C20 H23 NO5)

Compound Name

cycloheptyl 3a,8b-dihydroxy-2-methyl-4-oxo-1,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-3-carboxylate

IUPAC name

cycloheptyl 3a8b-dihydroxy-2-methyl-4-oxo-1H3aH4H8bH-indeno[12-b]pyrrole-3-carboxylate

SMILES

CC(NC(C12O)(c(cccc3)c3C1=O)O)=C2C(OC1CCCCCC1)=O

InChI

InChI=1S/C20H23NO5/c1-12-16(18(23)26-13-8-4-2-3-5-9-13)19(24)17(22)14-10-6-7-11-15(14)20(19,25)21-12/h6-7,10-11,13,21,24-25H,2-5,8-9H2,1H3

InChI Key

ZHCUUKBAHUCMNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.069

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.49

Polar Surface Area

76.805

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

8009-9590 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-9590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9590?
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What is the minimum amount of 8009-9590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9590
  • 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 8009-9590 available by request