F899-1727 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

F899-1727 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
F899-1727 Screening compound: 1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F899-1727
1-{[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(thiophen-2-yl)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

F899-1727

Molecular Formula

C22H30N4O4S2 (C22 H30 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1S(c1c[nH]c(C(N2CCCCCC2)=O)c1)(=O)=O)NCc1cccs1

InChI

InChI=1S/C22H30N4O4S2/c27-21(24-14-18-8-6-12-31-18)17-7-5-11-26(16-17)32(29,30)19-13-20(23-15-19)22(28)25-9-3-1-2-4-10-25/h6,8,12-13,15,17,23H,1-5,7,9-11,14,16H2,(H,24,27)/t17-/m0/s1

InChI Key

CSPHKHRZAFJNJX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27203347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

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

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-2.80

Polar Surface Area

84.450

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

F899-1727 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 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
  • Epigenetic
  • PPI modulators
Structure:
  • 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 F899-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F899-1727?
Check Price and Availability of F899-1727, 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 F899-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F899-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F899-1727
  • 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 F899-1727 available by request