V016-5361 Screening compound: 1-(1-butyl-1H-1,3-benzimidazol-2-yl)-N~3~-(3-pyridylmethyl)-3-piperidinecarboxamide

V016-5361 Screening compound: 1-(1-butyl-1H-1,3-benzimidazol-2-yl)-N~3~-(3-pyridylmethyl)-3-piperidinecarboxamide
V016-5361 Screening compound: 1-(1-butyl-1H-1,3-benzimidazol-2-yl)-N~3~-(3-pyridylmethyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-5361
1-(1-butyl-1H-1,3-benzimidazol-2-yl)-N~3~-(3-pyridylmethyl)-3-piperidinecarboxamide

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

V016-5361

Molecular Formula

C23H29N5O (C23 H29 N5 O)

Compound Name

1-(1-butyl-1H-1,3-benzimidazol-2-yl)-N~3~-(3-pyridylmethyl)-3-piperidinecarboxamide

IUPAC name

n/a

SMILES

CCCCn1c(N(CCC2)CC2C(NCc2cnccc2)=O)nc2c1cccc2

InChI

InChI=1S/C23H29N5O/c1-2-3-14-28-21-11-5-4-10-20(21)26-23(28)27-13-7-9-19(17-27)22(29)25-16-18-8-6-12-24-15-18/h4-6,8,10-12,15,19H,2-3,7,9,13-14,16-17H2,1H3,(H,25,29)/t19-/m0/s1

InChI Key

NFACNHZHNTZLNH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19970818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.315

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.15

Polar Surface Area

47.275

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

V016-5361 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V016-5361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-5361?
Check Price and Availability of V016-5361, 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 V016-5361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-5361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-5361
  • 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 V016-5361 available by request