C791-0593 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C791-0593 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
C791-0593 Screening compound: 3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0593
3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

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

C791-0593

Molecular Formula

C25H27FN2O4 (C25 H27 FN2 O4)

Compound Name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

IUPAC name

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-N-[(34-dimethoxyphenyl)methyl]propanamide

SMILES

CC(c1c(C)n(CCC(NCc(cc2)cc(OC)c2OC)=O)c(-c(cc2)ccc2F)c1)=O

InChI

InChI=1S/C25H27FN2O4/c1-16-21(17(2)29)14-22(19-6-8-20(26)9-7-19)28(16)12-11-25(30)27-15-18-5-10-23(31-3)24(13-18)32-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,27,30)

InChI Key

ZHISIHKRUKXRRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.74

Polar Surface Area

54.455

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C791-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0593?
Check Price and Availability of C791-0593, 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 C791-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0593
  • 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 C791-0593 available by request