F065-0131 Screening compound: methyl 1-methyl-4-[(2-{[4-(2-pyridyl)piperazino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1H-pyrrole-2-carboxylate

F065-0131 Screening compound: methyl 1-methyl-4-[(2-{[4-(2-pyridyl)piperazino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1H-pyrrole-2-carboxylate
F065-0131 Screening compound: methyl 1-methyl-4-[(2-{[4-(2-pyridyl)piperazino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0131
methyl 1-methyl-4-[(2-{[4-(2-pyridyl)piperazino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1H-pyrrole-2-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

F065-0131

Molecular Formula

C21H27N5O5S (C21 H27 N5 O5 S)

Compound Name

methyl 1-methyl-4-[(2-{[4-(2-pyridyl)piperazino]carbonyl}-1-pyrrolidinyl)sulfonyl]-1H-pyrrole-2-carboxylate

IUPAC name

methyl 1-methyl-4-({2-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(N(CCC2)C2C(N(CC2)CCN2c2ncccc2)=O)(=O)=O)c1

InChI

InChI=1S/C21H27N5O5S/c1-23-15-16(14-18(23)21(28)31-2)32(29,30)26-9-5-6-17(26)20(27)25-12-10-24(11-13-25)19-7-3-4-8-22-19/h3-4,7-8,14-15,17H,5-6,9-13H2,1-2H3/t17-/m0/s1

InChI Key

UJHFAPXJMQFOMV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27098184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.874

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-2.12

Polar Surface Area

84.690

Acid Dissociation Constant (pKa)

20.65

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

F065-0131 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F065-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0131?
Check Price and Availability of F065-0131, 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 F065-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0131
  • 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 F065-0131 available by request