P769-0066 Screening compound: N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide

P769-0066 Screening compound: N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide
P769-0066 Screening compound: N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P769-0066
N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-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

P769-0066

Molecular Formula

C17H17ClFN5O (C17 H17 ClFN5 O)

Compound Name

N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-1-[2-(dimethylamino)ethyl]-1H-123-benzotriazole-5-carboxamide

SMILES

CN(C)CCn1nnc2c1ccc(C(Nc(ccc(F)c1)c1Cl)=O)c2

InChI

InChI=1S/C17H17ClFN5O/c1-23(2)7-8-24-16-6-3-11(9-15(16)21-22-24)17(25)20-14-5-4-12(19)10-13(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)

InChI Key

CGMWHDZRPCAWSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.81

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

2.635

Distribution Coefficient, logD

2.233

Water Solubility, LogSw

-3.61

Polar Surface Area

52.173

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P769-0066 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P769-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P769-0066?
Check Price and Availability of P769-0066, 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 P769-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P769-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P769-0066
  • 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 P769-0066 available by request