P596-0062 Screening compound: 1-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

P596-0062 Screening compound: 1-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
P596-0062 Screening compound: 1-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0062
1-methyl-6-[5-(1-phenoxyethyl)-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

P596-0062

Molecular Formula

C17H15N5O2 (C17 H15 N5 O2)

Compound Name

1-methyl-6-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole

IUPAC name

1-methyl-6-[5-(1-phenoxyethyl)-124-oxadiazol-3-yl]-1H-123-benzotriazole

SMILES

CC(c1nc(-c(cc2)cc3c2nnn3C)no1)Oc1ccccc1

InChI

InChI=1S/C17H15N5O2/c1-11(23-13-6-4-3-5-7-13)17-18-16(20-24-17)12-8-9-14-15(10-12)22(2)21-19-14/h3-11H,1-2H3/t11-/m0/s1

InChI Key

WMRAEJSDEFJBKK-NSHDSACASA-N

MDL Number (MFCD)

MFCD27605983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-4.02

Polar Surface Area

64.417

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

P596-0062 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P596-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0062?
Check Price and Availability of P596-0062, 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 P596-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0062
  • 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 P596-0062 available by request