C799-0677 Screening compound: N-cyclohexyl-N-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide

C799-0677 Screening compound: N-cyclohexyl-N-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide
C799-0677 Screening compound: N-cyclohexyl-N-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0677
N-cyclohexyl-N-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide

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

C799-0677

Molecular Formula

C25H29FN2O2S (C25 H29 FN2 O2 S)

Compound Name

N-cyclohexyl-N-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide

IUPAC name

N-cyclohexyl-N-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzene-1-sulfonamide

SMILES

Cc1cc(CN(C2CCCCC2)S(c2cc(F)ccc2)(=O)=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C25H29FN2O2S/c1-19-16-21(20(2)28(19)24-13-7-4-8-14-24)18-27(23-11-5-3-6-12-23)31(29,30)25-15-9-10-22(26)17-25/h4,7-10,13-17,23H,3,5-6,11-12,18H2,1-2H3

InChI Key

SZRWLSRVYUZIAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.718

Distribution Coefficient, logD

5.718

Water Solubility, LogSw

-5.43

Polar Surface Area

34.290

Acid Dissociation Constant (pKa)

25.18

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C799-0677 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C799-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0677?
Check Price and Availability of C799-0677, 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 C799-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0677
  • 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 C799-0677 available by request