F348-0495 Screening compound: ethyl 5-{[[(4-acetylphenyl)sulfonyl](1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

F348-0495 Screening compound: ethyl 5-{[[(4-acetylphenyl)sulfonyl](1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
F348-0495 Screening compound: ethyl 5-{[[(4-acetylphenyl)sulfonyl](1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F348-0495
ethyl 5-{[[(4-acetylphenyl)sulfonyl](1,3-benzodioxol-5-ylmethyl)amino]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

F348-0495

Molecular Formula

C26H28N2O7S (C26 H28 N2 O7 S)

Compound Name

ethyl 5-{[[(4-acetylphenyl)sulfonyl](1,3-benzodioxol-5-ylmethyl)amino]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-({N-[(2H-13-benzodioxol-5-yl)methyl]4-acetylbenzenesulfonamido}methyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CN(Cc(cc2)cc3c2OCO3)S(c(cc2)ccc2C(C)=O)(=O)=O)c1C)=O

InChI

InChI=1S/C26H28N2O7S/c1-5-33-26(30)25-16(2)22(27-17(25)3)14-28(13-19-6-11-23-24(12-19)35-15-34-23)36(31,32)21-9-7-20(8-10-21)18(4)29/h6-12,27H,5,13-15H2,1-4H3

InChI Key

OAUAHVAEQWUCNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.23

Polar Surface Area

94.515

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

F348-0495 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F348-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F348-0495?
Check Price and Availability of F348-0495, 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 F348-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F348-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F348-0495
  • 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 F348-0495 available by request