P597-0216 Screening compound: 1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

P597-0216 Screening compound: 1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
P597-0216 Screening compound: 1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0216
1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

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

P597-0216

Molecular Formula

C19H18N4O2 (C19 H18 N4 O2)

Compound Name

1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

IUPAC name

1-ethyl-6-{5-[(4-methoxyphenyl)methyl]-124-oxadiazol-3-yl}-1H-13-benzodiazole

SMILES

CCn1c(cc(cc2)-c3noc(Cc(cc4)ccc4OC)n3)c2nc1

InChI

InChI=1S/C19H18N4O2/c1-3-23-12-20-16-9-6-14(11-17(16)23)19-21-18(25-22-19)10-13-4-7-15(24-2)8-5-13/h4-9,11-12H,3,10H2,1-2H3

InChI Key

ZSJHKKNHLKFMLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.09

Polar Surface Area

49.035

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P597-0216 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 P597-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of P597-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0216
  • 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 P597-0216 available by request