P769-0057 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide

P769-0057 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide
P769-0057 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P769-0057
N-(5-chloro-2-methoxyphenyl)-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

P769-0057

Molecular Formula

C18H20ClN5O2 (C18 H20 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCn1nnc2c1ccc(C(Nc(cc(cc1)Cl)c1OC)=O)c2

InChI

InChI=1S/C18H20ClN5O2/c1-23(2)8-9-24-16-6-4-12(10-14(16)21-22-24)18(25)20-15-11-13(19)5-7-17(15)26-3/h4-7,10-11H,8-9H2,1-3H3,(H,20,25)

InChI Key

LVDJOSCUIMPOFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.454

Distribution Coefficient, logD

2.053

Water Solubility, LogSw

-3.54

Polar Surface Area

59.804

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

7.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P769-0057 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P769-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P769-0057?
Check Price and Availability of P769-0057, 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 P769-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P769-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P769-0057
  • 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 P769-0057 available by request