8009-4872 Screening compound: (oxolan-2-yl)methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

8009-4872 Screening compound: (oxolan-2-yl)methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate
8009-4872 Screening compound: (oxolan-2-yl)methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4872
(oxolan-2-yl)methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[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

8009-4872

Molecular Formula

C18H19NO6 (C18 H19 NO6)

Compound Name

(oxolan-2-yl)methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H,3aH,4H,8bH-indeno[1,2-b]pyrrole-3-carboxylate

IUPAC name

(oxolan-2-yl)methyl 3a8b-dihydroxy-2-methyl-4-oxo-1H3aH4H8bH-indeno[12-b]pyrrole-3-carboxylate

SMILES

CC(NC(C12O)(c(cccc3)c3C1=O)O)=C2C(OCC1OCCC1)=O

InChI

InChI=1S/C18H19NO6/c1-10-14(16(21)25-9-11-5-4-8-24-11)17(22)15(20)12-6-2-3-7-13(12)18(17,23)19-10/h2-3,6-7,11,19,22-23H,4-5,8-9H2,1H3

InChI Key

RADGCOZYXYTPNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.35

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

0.762

Distribution Coefficient, logD

0.741

Water Solubility, LogSw

-2.20

Polar Surface Area

85.902

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.40

8009-4872 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8009-4872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4872?
Check Price and Availability of 8009-4872, 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 8009-4872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4872
  • 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 8009-4872 available by request