P596-0137 Screening compound: 1-methyl-6-{5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole

P596-0137 Screening compound: 1-methyl-6-{5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole
P596-0137 Screening compound: 1-methyl-6-{5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0137
1-methyl-6-{5-[(2-methylphenyl)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

P596-0137

Molecular Formula

C17H15N5O (C17 H15 N5 O)

Compound Name

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

IUPAC name

1-methyl-6-{5-[(2-methylphenyl)methyl]-124-oxadiazol-3-yl}-1H-123-benzotriazole

SMILES

Cc1c(Cc2nc(-c(cc3)cc4c3nnn4C)no2)cccc1

InChI

InChI=1S/C17H15N5O/c1-11-5-3-4-6-12(11)10-16-18-17(20-23-16)13-7-8-14-15(9-13)22(2)21-19-14/h3-9H,10H2,1-2H3

InChI Key

KESFMWPXRXMTQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.32

Polar Surface Area

57.293

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

P596-0137 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P596-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0137?
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What is the minimum amount of P596-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0137
  • 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 P596-0137 available by request