T501-0781 Screening compound: 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one

T501-0781 Screening compound: 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
T501-0781 Screening compound: 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-0781
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}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

T501-0781

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one

IUPAC name

1-{3-[(4-benzyl-4H-124-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one

SMILES

CCC(N1CC(Cc2nncn2Cc2ccccc2)CCC1)=O

InChI

InChI=1S/C18H24N4O/c1-2-18(23)21-10-6-9-16(13-21)11-17-20-19-14-22(17)12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,2,6,9-13H2,1H3/t16-/m1/s1

InChI Key

PREGXXMXVPBFQA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31973831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.44

Polar Surface Area

41.625

Acid Dissociation Constant (pKa)

19.60

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T501-0781 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T501-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-0781?
Check Price and Availability of T501-0781, 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 T501-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-0781
  • 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 T501-0781 available by request