V012-9412 Screening compound: 1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

V012-9412 Screening compound: 1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
V012-9412 Screening compound: 1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9412
1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

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

V012-9412

Molecular Formula

C29H31N3O (C29 H31 N3 O)

Compound Name

1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

IUPAC name

1-[4-(2-benzyl-1H-13-benzodiazol-1-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one

SMILES

Cc1c(CCC(N(CC2)CCC2n2c(cccc3)c3nc2Cc2ccccc2)=O)cccc1

InChI

InChI=1S/C29H31N3O/c1-22-9-5-6-12-24(22)15-16-29(33)31-19-17-25(18-20-31)32-27-14-8-7-13-26(27)30-28(32)21-23-10-3-2-4-11-23/h2-14,25H,15-21H2,1H3

InChI Key

ORGHVNVTSZYKHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10464035

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.103

Distribution Coefficient, logD

6.103

Water Solubility, LogSw

-5.49

Polar Surface Area

27.377

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V012-9412 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V012-9412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9412?
Check Price and Availability of V012-9412, 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 V012-9412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9412
  • 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 V012-9412 available by request