V025-8658 Screening compound: ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate

V025-8658 Screening compound: ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
V025-8658 Screening compound: ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-8658
ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-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

V025-8658

Molecular Formula

C14H20N2O3 (C14 H20 N2 O3)

Compound Name

ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(1-methyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1cccn1C)=O)=O

InChI

InChI=1S/C14H20N2O3/c1-3-19-14(18)11-6-4-9-16(10-11)13(17)12-7-5-8-15(12)2/h5,7-8,11H,3-4,6,9-10H2,1-2H3/t11-/m0/s1

InChI Key

ZWQVKQLDPJHBQB-NSHDSACASA-N

MDL Number (MFCD)

MFCD12643260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.109

Distribution Coefficient, logD

2.109

Water Solubility, LogSw

-2.30

Polar Surface Area

39.991

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

V025-8658 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V025-8658 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-8658?
Check Price and Availability of V025-8658, 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 V025-8658 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-8658
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-8658
  • 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 V025-8658 available by request