P596-0116 Screening compound: 6-{5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole

P596-0116 Screening compound: 6-{5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole
P596-0116 Screening compound: 6-{5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0116
6-{5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-methyl-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

P596-0116

Molecular Formula

C16H12ClN5O (C16 H12 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1nnc(cc2)c1cc2-c1noc(Cc2cccc(Cl)c2)n1

InChI

InChI=1S/C16H12ClN5O/c1-22-14-9-11(5-6-13(14)19-21-22)16-18-15(23-20-16)8-10-3-2-4-12(17)7-10/h2-7,9H,8H2,1H3

InChI Key

OFEQVKQMOBBDBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.76

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

3.995

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.40

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

12.50

P596-0116 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P596-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0116?
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What is the minimum amount of P596-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0116
  • 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 P596-0116 available by request