V012-0821 Screening compound: 2-benzyl-1-[1-(4-methylbenzoyl)piperidin-4-yl]-1H-1,3-benzodiazole

V012-0821 Screening compound: 2-benzyl-1-[1-(4-methylbenzoyl)piperidin-4-yl]-1H-1,3-benzodiazole
V012-0821 Screening compound: 2-benzyl-1-[1-(4-methylbenzoyl)piperidin-4-yl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0821
2-benzyl-1-[1-(4-methylbenzoyl)piperidin-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

V012-0821

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

2-benzyl-1-[1-(4-methylbenzoyl)piperidin-4-yl]-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-[1-(4-methylbenzoyl)piperidin-4-yl]-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1C(N(CC1)CCC1n1c(cccc2)c2nc1Cc1ccccc1)=O

InChI

InChI=1S/C27H27N3O/c1-20-11-13-22(14-12-20)27(31)29-17-15-23(16-18-29)30-25-10-6-5-9-24(25)28-26(30)19-21-7-3-2-4-8-21/h2-14,23H,15-19H2,1H3

InChI Key

SBSBGMLVBOPHFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980036

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

409.53

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

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.29

Polar Surface Area

27.904

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V012-0821 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with V012-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0821?
Check Price and Availability of V012-0821, 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 V012-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0821
  • 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 V012-0821 available by request