F348-0472 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

F348-0472 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
F348-0472 Screening compound: ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F348-0472
ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

F348-0472

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

ethyl 5-({N-[(2H-1,3-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-({N-[(2H-13-benzodioxol-5-yl)methyl]phenylmethanesulfonamido}methyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CN(Cc(cc2)cc3c2OCO3)S(Cc2ccccc2)(=O)=O)c1C)=O

InChI

InChI=1S/C25H28N2O6S/c1-4-31-25(28)24-17(2)21(26-18(24)3)14-27(34(29,30)15-19-8-6-5-7-9-19)13-20-10-11-22-23(12-20)33-16-32-22/h5-12,26H,4,13-16H2,1-3H3

InChI Key

LLAQDRSTAXPIFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.06

Polar Surface Area

80.582

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F348-0472 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F348-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F348-0472?
Check Price and Availability of F348-0472, 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 F348-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F348-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F348-0472
  • 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 F348-0472 available by request