F861-0052 Screening compound: ethyl 3,5-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-1H-pyrrole-2-carboxylate

F861-0052 Screening compound: ethyl 3,5-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-1H-pyrrole-2-carboxylate
F861-0052 Screening compound: ethyl 3,5-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F861-0052
ethyl 3,5-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-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

F861-0052

Molecular Formula

C20H31N3O4 (C20 H31 N3 O4)

Compound Name

ethyl 3,5-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 35-dimethyl-4-{4-[(propylcarbamoyl)methyl]piperidine-1-carbonyl}-1H-pyrrole-2-carboxylate

SMILES

CCCNC(CC(CC1)CCN1C(c1c(C)[nH]c(C(OCC)=O)c1C)=O)=O

InChI

InChI=1S/C20H31N3O4/c1-5-9-21-16(24)12-15-7-10-23(11-8-15)19(25)17-13(3)18(22-14(17)4)20(26)27-6-2/h15,22H,5-12H2,1-4H3,(H,21,24)

InChI Key

LCPVYOGPVUFEAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.058

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-2.36

Polar Surface Area

72.935

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

F861-0052 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F861-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F861-0052?
Check Price and Availability of F861-0052, 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 F861-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F861-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F861-0052
  • 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 F861-0052 available by request