P596-0148 Screening compound: 1-methyl-6-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

P596-0148 Screening compound: 1-methyl-6-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
P596-0148 Screening compound: 1-methyl-6-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0148
1-methyl-6-{5-[(3-methylphenoxy)methyl]-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

P596-0148

Molecular Formula

C17H15N5O2 (C17 H15 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCc2nc(-c(cc3)cc4c3nnn4C)no2)c1

InChI

InChI=1S/C17H15N5O2/c1-11-4-3-5-13(8-11)23-10-16-18-17(20-24-16)12-6-7-14-15(9-12)22(2)21-19-14/h3-9H,10H2,1-2H3

InChI Key

QLWSCPOOAVQCDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606009

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

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.61

Polar Surface Area

64.793

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P596-0148 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P596-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0148?
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What is the minimum amount of P596-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0148
  • 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 P596-0148 available by request