M576-0325 Screening compound: 8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

M576-0325 Screening compound: 8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
M576-0325 Screening compound: 8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound M576-0325
8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

M576-0325

Molecular Formula

C20H23FN2O3 (C20 H23 FN2 O3)

Compound Name

8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-ethyl-4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCn1c(C(N(CC2)CCC22OCCO2)=O)cc(-c(cc2)ccc2F)c1

InChI

InChI=1S/C20H23FN2O3/c1-2-22-14-16(15-3-5-17(21)6-4-15)13-18(22)19(24)23-9-7-20(8-10-23)25-11-12-26-20/h3-6,13-14H,2,7-12H2,1H3

InChI Key

AARGZIRNKDQMTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.03

Polar Surface Area

32.531

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M576-0325 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M576-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M576-0325?
Check Price and Availability of M576-0325, 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 M576-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M576-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M576-0325
  • 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 M576-0325 available by request