F899-1818 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

F899-1818 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
F899-1818 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F899-1818
1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

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

F899-1818

Molecular Formula

C25H34N4O4S (C25 H34 N4 O4 S)

Compound Name

1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

IUPAC name

1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

SMILES

Cc1c(CNC(C(CCC2)CN2S(c2c[nH]c(C(N3CCCCCC3)=O)c2)(=O)=O)=O)cccc1

InChI

InChI=1S/C25H34N4O4S/c1-19-9-4-5-10-20(19)16-27-24(30)21-11-8-14-29(18-21)34(32,33)22-15-23(26-17-22)25(31)28-12-6-2-3-7-13-28/h4-5,9-10,15,17,21,26H,2-3,6-8,11-14,16,18H2,1H3,(H,27,30)/t21-/m0/s1

InChI Key

LEFIWIXZPTYFMQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27203357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.175

Water Solubility, LogSw

-3.40

Polar Surface Area

83.431

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

F899-1818 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F899-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F899-1818?
Check Price and Availability of F899-1818, 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 F899-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F899-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F899-1818
  • 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 F899-1818 available by request