P596-0204 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,2,3-benzotriazole

P596-0204 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,2,3-benzotriazole
P596-0204 Screening compound: 6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0204
6-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-ethyl-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

P596-0204

Molecular Formula

C19H19N5O3 (C19 H19 N5 O3)

Compound Name

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

IUPAC name

6-{5-[(34-dimethoxyphenyl)methyl]-124-oxadiazol-3-yl}-1-ethyl-1H-123-benzotriazole

SMILES

CCn1nnc(cc2)c1cc2-c1noc(Cc(cc2)cc(OC)c2OC)n1

InChI

InChI=1S/C19H19N5O3/c1-4-24-15-11-13(6-7-14(15)21-23-24)19-20-18(27-22-19)10-12-5-8-16(25-2)17(9-12)26-3/h5-9,11H,4,10H2,1-3H3

InChI Key

AXALCISHALTRHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.38

Polar Surface Area

71.993

Acid Dissociation Constant (pKa)

25.42

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

P596-0204 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with P596-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0204?
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What is the minimum amount of P596-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0204
  • 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 P596-0204 available by request