C798-1306 Screening compound: N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

C798-1306 Screening compound: N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide
C798-1306 Screening compound: N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1306
N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

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

C798-1306

Molecular Formula

C31H35N3O (C31 H35 N3 O)

Compound Name

N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

IUPAC name

N-benzyl-N-methyl-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

SMILES

Cc1ccc(Cn(c(CN(CC2)CCC2C(N(C)Cc2ccccc2)=O)c2)c3c2cccc3)cc1

InChI

InChI=1S/C31H35N3O/c1-24-12-14-26(15-13-24)22-34-29(20-28-10-6-7-11-30(28)34)23-33-18-16-27(17-19-33)31(35)32(2)21-25-8-4-3-5-9-25/h3-15,20,27H,16-19,21-23H2,1-2H3

InChI Key

SRWZAOBEZRSXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.958

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-6.21

Polar Surface Area

21.056

Acid Dissociation Constant (pKa)

22.77

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

C798-1306 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C798-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1306?
Check Price and Availability of C798-1306, 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 C798-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1306
  • 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 C798-1306 available by request