V018-9631 Screening compound: 3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide

V018-9631 Screening compound: 3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide
V018-9631 Screening compound: 3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9631
3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide

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

V018-9631

Molecular Formula

C22H33N3O3S (C22 H33 N3 O3 S)

Compound Name

3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide

IUPAC name

3-methyl-N-[2-oxo-2-(piperidin-1-yl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]butanamide

SMILES

CC(C)CC(NC(C(CC1)CCN1C(c1cccs1)=O)C(N1CCCCC1)=O)=O

InChI

InChI=1S/C22H33N3O3S/c1-16(2)15-19(26)23-20(22(28)24-10-4-3-5-11-24)17-8-12-25(13-9-17)21(27)18-7-6-14-29-18/h6-7,14,16-17,20H,3-5,8-13,15H2,1-2H3,(H,23,26)/t20-/m0/s1

InChI Key

ZMYKIQHSRXOOGH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19887916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-3.29

Polar Surface Area

58.377

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

V018-9631 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-9631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9631?
Check Price and Availability of V018-9631, 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 V018-9631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9631
  • 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 V018-9631 available by request