E512-0799 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]acetamide

E512-0799 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]acetamide
E512-0799 Screening compound: N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E512-0799
N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]acetamide

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

E512-0799

Molecular Formula

C25H37N5O3 (C25 H37 N5 O3)

Compound Name

N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]acetamide

IUPAC name

N-{3-[butyl(methyl)amino]propyl}-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H4H5H-furo[23-g]indazol-2-yl]acetamide

SMILES

CCCCN(C)CCCNC(Cn(cc1CC2)nc1-c1c2oc(C(N2CCCC2)=O)c1C)=O

InChI

InChI=1S/C25H37N5O3/c1-4-5-12-28(3)13-8-11-26-21(31)17-30-16-19-9-10-20-22(23(19)27-30)18(2)24(33-20)25(32)29-14-6-7-15-29/h16H,4-15,17H2,1-3H3,(H,26,31)

InChI Key

RALMJYSZNAFBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

-0.172

Water Solubility, LogSw

-2.46

Polar Surface Area

69.508

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

E512-0799 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E512-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E512-0799?
Check Price and Availability of E512-0799, 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 E512-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E512-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E512-0799
  • 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 E512-0799 available by request