F347-0141 Screening compound: ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

F347-0141 Screening compound: ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
F347-0141 Screening compound: ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F347-0141
ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]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

F347-0141

Molecular Formula

C25H28N2O3S (C25 H28 N2 O3 S)

Compound Name

ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-{[N-benzyl-2-(phenylsulfanyl)acetamido]methyl}-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(CN(Cc2ccccc2)C(CSc2ccccc2)=O)c1C)=O

InChI

InChI=1S/C25H28N2O3S/c1-4-30-25(29)24-18(2)22(26-19(24)3)16-27(15-20-11-7-5-8-12-20)23(28)17-31-21-13-9-6-10-14-21/h5-14,26H,4,15-17H2,1-3H3

InChI Key

RUOCBGXQHUOHJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14951389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.30

Polar Surface Area

47.881

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

F347-0141 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 F347-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F347-0141?
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What is the minimum amount of F347-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F347-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F347-0141
  • 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 F347-0141 available by request