P766-0049 Screening compound: 3-(3-{1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

P766-0049 Screening compound: 3-(3-{1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
P766-0049 Screening compound: 3-(3-{1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P766-0049
3-(3-{1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

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

P766-0049

Molecular Formula

C19H17N7O (C19 H17 N7 O)

Compound Name

3-(3-{1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile

IUPAC name

3-(3-{1-[2-(dimethylamino)ethyl]-1H-123-benzotriazol-5-yl}-124-oxadiazol-5-yl)benzonitrile

SMILES

CN(C)CCn1nnc2c1ccc(-c1noc(-c3cc(C#N)ccc3)n1)c2

InChI

InChI=1S/C19H17N7O/c1-25(2)8-9-26-17-7-6-14(11-16(17)22-24-26)18-21-19(27-23-18)15-5-3-4-13(10-15)12-20/h3-7,10-11H,8-9H2,1-2H3

InChI Key

IHCKSOIXSPLRDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.97

Polar Surface Area

78.242

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P766-0049 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P766-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P766-0049?
Check Price and Availability of P766-0049, 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 P766-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P766-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P766-0049
  • 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 P766-0049 available by request