F602-0941 Screening compound: ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

F602-0941 Screening compound: ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
F602-0941 Screening compound: ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F602-0941
ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-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

F602-0941

Molecular Formula

C25H40N4O4 (C25 H40 N4 O4)

Compound Name

ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-(3-{[3-(azepan-1-yl)propyl]carbamoyl}piperidine-1-carbonyl)-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C(N(CCC2)CC2C(NCCCN2CCCCCC2)=O)=O)c1C)=O

InChI

InChI=1S/C25H40N4O4/c1-4-33-25(32)21-18(2)22(27-19(21)3)24(31)29-16-9-11-20(17-29)23(30)26-12-10-15-28-13-7-5-6-8-14-28/h20,27H,4-17H2,1-3H3,(H,26,30)/t20-/m0/s1

InChI Key

SCUBPRVHUFERKU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27178846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

-0.270

Water Solubility, LogSw

-2.43

Polar Surface Area

77.124

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.00

F602-0941 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with F602-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F602-0941?
Check Price and Availability of F602-0941, 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 F602-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F602-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F602-0941
  • 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 F602-0941 available by request