E512-0837 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

E512-0837 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
E512-0837 Screening compound: 2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E512-0837
2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H,4H,5H-furo[2,3-g]indazol-2-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}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

E512-0837

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

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

IUPAC name

2-[8-methyl-7-(pyrrolidine-1-carbonyl)-2H4H5H-furo[23-g]indazol-2-yl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

SMILES

CC(C)Oc1ccc(CNC(Cn(cc2CC3)nc2-c2c3oc(C(N3CCCC3)=O)c2C)=O)cc1

InChI

InChI=1S/C27H32N4O4/c1-17(2)34-21-9-6-19(7-10-21)14-28-23(32)16-31-15-20-8-11-22-24(25(20)29-31)18(3)26(35-22)27(33)30-12-4-5-13-30/h6-7,9-10,15,17H,4-5,8,11-14,16H2,1-3H3,(H,28,32)

InChI Key

LFYSUMDCKLWOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.64

Polar Surface Area

72.125

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E512-0837 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E512-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E512-0837?
Check Price and Availability of E512-0837, 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 E512-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E512-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E512-0837
  • 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 E512-0837 available by request