E512-0045 Screening compound: 2-[8-methyl-7-(morpholinocarbonyl)-4,5-dihydro-2H-furo[2,3-g]indazol-2-yl]-N~1~-(3-pyridylmethyl)acetamide

E512-0045 Screening compound: 2-[8-methyl-7-(morpholinocarbonyl)-4,5-dihydro-2H-furo[2,3-g]indazol-2-yl]-N~1~-(3-pyridylmethyl)acetamide
E512-0045 Screening compound: 2-[8-methyl-7-(morpholinocarbonyl)-4,5-dihydro-2H-furo[2,3-g]indazol-2-yl]-N~1~-(3-pyridylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E512-0045
2-[8-methyl-7-(morpholinocarbonyl)-4,5-dihydro-2H-furo[2,3-g]indazol-2-yl]-N~1~-(3-pyridylmethyl)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

E512-0045

Molecular Formula

C23H25N5O4 (C23 H25 N5 O4)

Compound Name

2-[8-methyl-7-(morpholinocarbonyl)-4,5-dihydro-2H-furo[2,3-g]indazol-2-yl]-N~1~-(3-pyridylmethyl)acetamide

IUPAC name

2-[8-methyl-7-(morpholine-4-carbonyl)-2H4H5H-furo[23-g]indazol-2-yl]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

Cc1c(C(N2CCOCC2)=O)oc2c1-c1nn(CC(NCc3cnccc3)=O)cc1CC2

InChI

InChI=1S/C23H25N5O4/c1-15-20-18(32-22(15)23(30)27-7-9-31-10-8-27)5-4-17-13-28(26-21(17)20)14-19(29)25-12-16-3-2-6-24-11-16/h2-3,6,11,13H,4-5,7-10,12,14H2,1H3,(H,25,29)

InChI Key

XSBZTZYAYRSYBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.790

Distribution Coefficient, logD

0.788

Water Solubility, LogSw

-1.26

Polar Surface Area

82.383

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

E512-0045 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E512-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E512-0045?
Check Price and Availability of E512-0045, 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 E512-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E512-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E512-0045
  • 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 E512-0045 available by request