8011-3313 Screening compound: butyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate

8011-3313 Screening compound: butyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate
8011-3313 Screening compound: butyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3313
butyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-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

8011-3313

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

butyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate

IUPAC name

butyl (1R9R)-14-amino-15-cyano-11-methyl-8-oxo-1213-dioxatetracyclo[7.3.3.0^{19}.0^{27}]pentadeca-2461014-pentaene-10-carboxylate

SMILES

CCCCOC(C([C@@]12C(c3c4cccc3)=O)=C(C)O[C@]24OC(N)=C1C#N)=O

InChI

InChI=1S/C20H18N2O5/c1-3-4-9-25-18(24)15-11(2)26-20-13-8-6-5-7-12(13)16(23)19(15,20)14(10-21)17(22)27-20/h5-8H,3-4,9,22H2,1-2H3/t19-,20-/m1/s1

InChI Key

YUHCVSGEAUQIIL-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.953

Distribution Coefficient, logD

2.953

Water Solubility, LogSw

-3.49

Polar Surface Area

89.701

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8011-3313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3313?
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What is the minimum amount of 8011-3313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3313
  • 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 8011-3313 available by request