P769-0512 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-1,2,3-benzotriazole

P769-0512 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-1,2,3-benzotriazole
P769-0512 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P769-0512
1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-1,2,3-benzotriazole

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

P769-0512

Molecular Formula

C23H28N6O2 (C23 H28 N6 O2)

Compound Name

1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-1,2,3-benzotriazole

IUPAC name

1-[2-(morpholin-4-yl)ethyl]-5-(4-phenylpiperazine-1-carbonyl)-1H-123-benzotriazole

SMILES

O=C(c(cc1)cc2c1n(CCN1CCOCC1)nn2)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H28N6O2/c30-23(28-11-9-27(10-12-28)20-4-2-1-3-5-20)19-6-7-22-21(18-19)24-25-29(22)13-8-26-14-16-31-17-15-26/h1-7,18H,8-17H2

InChI Key

AOLXGWAMDQHSMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.295

Water Solubility, LogSw

-1.97

Polar Surface Area

57.443

Acid Dissociation Constant (pKa)

26.30

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

P769-0512 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

SmartTM Library (51161 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P769-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P769-0512?
Check Price and Availability of P769-0512, 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 P769-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P769-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P769-0512
  • 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 P769-0512 available by request