T505-0811 Screening compound: N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide

T505-0811 Screening compound: N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide
T505-0811 Screening compound: N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0811
N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-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

T505-0811

Molecular Formula

C19H32N6O2 (C19 H32 N6 O2)

Compound Name

N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl]ethyl}piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-2-{2-[4-(dimethylcarbamoyl)-1H-123-triazol-1-yl]ethyl}piperidine-1-carboxamide

SMILES

CN(C)C(c1cn(CCC(CCCC2)N2C(NC2CCCCC2)=O)nn1)=O

InChI

InChI=1S/C19H32N6O2/c1-23(2)18(26)17-14-24(22-21-17)13-11-16-10-6-7-12-25(16)19(27)20-15-8-4-3-5-9-15/h14-16H,3-13H2,1-2H3,(H,20,27)/t16-/m1/s1

InChI Key

MNFKFSXSVJXOOO-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD32262095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.14

Polar Surface Area

68.893

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

T505-0811 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T505-0811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0811?
Check Price and Availability of T505-0811, 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 T505-0811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0811
  • 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 T505-0811 available by request