8015-3047 Screening compound: 3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

8015-3047 Screening compound: 3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
8015-3047 Screening compound: 3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3047
3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-(propan-2-yl)-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

8015-3047

Molecular Formula

C17H20N2O5 (C17 H20 N2 O5)

Compound Name

3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

IUPAC name

3-(2-hydroxyphenyl)-1-methyl-46-dioxo-5-(propan-2-yl)-octahydropyrrolo[34-c]pyrrole-1-carboxylic acid

SMILES

CC(C)N(C(C(C12)C(c(cccc3)c3O)NC2(C)C(O)=O)=O)C1=O

InChI

InChI=1S/C17H20N2O5/c1-8(2)19-14(21)11-12(15(19)22)17(3,16(23)24)18-13(11)9-6-4-5-7-10(9)20/h4-8,11-13,18,20H,1-3H3,(H,23,24)

InChI Key

PYLBGKORTKMTSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03942364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.821

Distribution Coefficient, logD

-1.528

Water Solubility, LogSw

-1.75

Polar Surface Area

87.376

Acid Dissociation Constant (pKa)

3.19

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

47.10

8015-3047 in Drug Discovery

Included in Screening Libraries

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

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

Human Proteases Annotated Library (2868 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8015-3047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3047?
Check Price and Availability of 8015-3047, 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 8015-3047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3047
  • 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 8015-3047 available by request