8014-1261 Screening compound: 5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8014-1261 Screening compound: 5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8014-1261 Screening compound: 5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1261
5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

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

8014-1261

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-4,6-dioxo-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

5-benzyl-1-ethyl-3-(2-hydroxyphenyl)-46-dioxo-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CCC(C(C1C(N2Cc3ccccc3)=O)C2=O)(C(O)=O)NC1c(cccc1)c1O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

-0.119

Water Solubility, LogSw

-2.55

Polar Surface Area

87.991

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.80

8014-1261 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8014-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1261?
Check Price and Availability of 8014-1261, 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 8014-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1261
  • 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 8014-1261 available by request