C852-0778 Screening compound: 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

C852-0778 Screening compound: 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
C852-0778 Screening compound: 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0778
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

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

C852-0778

Molecular Formula

C20H28N2O3 (C20 H28 N2 O3)

Compound Name

5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

IUPAC name

5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide

SMILES

CCCNC(c1c(C)n(CCCOC)c(-c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C20H28N2O3/c1-5-11-21-20(23)18-14-19(16-7-9-17(25-4)10-8-16)22(15(18)2)12-6-13-24-3/h7-10,14H,5-6,11-13H2,1-4H3,(H,21,23)

InChI Key

JSRDOPXCIJOFRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-3.94

Polar Surface Area

41.580

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C852-0778 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C852-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0778?
Check Price and Availability of C852-0778, 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 C852-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0778
  • 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 C852-0778 available by request