V001-1078 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide

V001-1078 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide
V001-1078 Screening compound: 2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1078
2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide

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

V001-1078

Molecular Formula

C27H34ClN3O3 (C27 H34 ClN3 O3)

Compound Name

2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

2-(4-benzylpiperidin-1-yl)-5-(2-chloropropanamido)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

CC(C(Nc(cc1)cc(C(NCC2OCCC2)=O)c1N1CCC(Cc2ccccc2)CC1)=O)Cl

InChI

InChI=1S/C27H34ClN3O3/c1-19(28)26(32)30-22-9-10-25(24(17-22)27(33)29-18-23-8-5-15-34-23)31-13-11-21(12-14-31)16-20-6-3-2-4-7-20/h2-4,6-7,9-10,17,19,21,23H,5,8,11-16,18H2,1H3,(H,29,33)(H,30,32)

InChI Key

KJTVNZINUVKONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19722461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

4.872

Water Solubility, LogSw

-4.63

Polar Surface Area

59.549

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

V001-1078 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V001-1078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1078?
Check Price and Availability of V001-1078, 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 V001-1078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1078
  • 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 V001-1078 available by request