V018-9730 Screening compound: N-[1-(1-isobutyryl-4-piperidyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiophenecarboxamide

V018-9730 Screening compound: N-[1-(1-isobutyryl-4-piperidyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiophenecarboxamide
V018-9730 Screening compound: N-[1-(1-isobutyryl-4-piperidyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9730
N-[1-(1-isobutyryl-4-piperidyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiophenecarboxamide

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

V018-9730

Molecular Formula

C20H29N3O3S (C20 H29 N3 O3 S)

Compound Name

N-[1-(1-isobutyryl-4-piperidyl)-2-oxo-2-(1-pyrrolidinyl)ethyl]-2-thiophenecarboxamide

IUPAC name

N-{1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}thiophene-2-carboxamide

SMILES

CC(C)C(N(CC1)CCC1C(C(N1CCCC1)=O)NC(c1cccs1)=O)=O

InChI

InChI=1S/C20H29N3O3S/c1-14(2)19(25)23-11-7-15(8-12-23)17(20(26)22-9-3-4-10-22)21-18(24)16-6-5-13-27-16/h5-6,13-15,17H,3-4,7-12H2,1-2H3,(H,21,24)/t17-/m0/s1

InChI Key

PLTUWWFMMRYKAR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19874482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.64

Polar Surface Area

58.956

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

V018-9730 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-9730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9730?
Check Price and Availability of V018-9730, 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 V018-9730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9730
  • 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 V018-9730 available by request