V012-0544 Screening compound: 2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-1,3-benzodiazole

V012-0544 Screening compound: 2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-1,3-benzodiazole
V012-0544 Screening compound: 2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0544
2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-1,3-benzodiazole

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

V012-0544

Molecular Formula

C26H31N3O (C26 H31 N3 O)

Compound Name

2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-(1-cyclohexanecarbonylpiperidin-4-yl)-1H-13-benzodiazole

SMILES

O=C(C1CCCCC1)N(CC1)CCC1n1c(cccc2)c2nc1Cc1ccccc1

InChI

InChI=1S/C26H31N3O/c30-26(21-11-5-2-6-12-21)28-17-15-22(16-18-28)29-24-14-8-7-13-23(24)27-25(29)19-20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21-22H,2,5-6,11-12,15-19H2

InChI Key

ZISKZARXINWNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953751

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.485

Water Solubility, LogSw

-5.55

Polar Surface Area

28.096

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

V012-0544 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V012-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0544?
Check Price and Availability of V012-0544, 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 V012-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0544
  • 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 V012-0544 available by request