7491-0136 Screening compound: 2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

7491-0136 Screening compound: 2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
7491-0136 Screening compound: 2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7491-0136
2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}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

7491-0136

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

IUPAC name

2-methoxy-N-{1-methyl-2-[(piperidin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzamide

SMILES

Cn1c(ccc(NC(c(cccc2)c2OC)=O)c2)c2nc1CN1CCCCC1

InChI

InChI=1S/C22H26N4O2/c1-25-19-11-10-16(23-22(27)17-8-4-5-9-20(17)28-2)14-18(19)24-21(25)15-26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,23,27)

InChI Key

ZCZFXIRPUNLGSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.54

Polar Surface Area

46.679

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

7491-0136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 7491-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7491-0136?
Check Price and Availability of 7491-0136, 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 7491-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7491-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7491-0136
  • 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 7491-0136 available by request