P766-0278 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

P766-0278 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
P766-0278 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P766-0278
1-[2-(morpholin-4-yl)ethyl]-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-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

P766-0278

Molecular Formula

C17H22N6O2 (C17 H22 N6 O2)

Compound Name

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

IUPAC name

1-[2-(morpholin-4-yl)ethyl]-5-[5-(propan-2-yl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

CC(C)c1nc(-c(cc2)cc3c2n(CCN2CCOCC2)nn3)no1

InChI

InChI=1S/C17H22N6O2/c1-12(2)17-18-16(20-25-17)13-3-4-15-14(11-13)19-21-23(15)6-5-22-7-9-24-10-8-22/h3-4,11-12H,5-10H2,1-2H3

InChI Key

XZROXPFFOFNXRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.470

Distribution Coefficient, logD

2.466

Water Solubility, LogSw

-2.69

Polar Surface Area

69.211

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

P766-0278 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P766-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P766-0278?
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What is the minimum amount of P766-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P766-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P766-0278
  • 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 P766-0278 available by request