P597-0214 Screening compound: 1-ethyl-6-{5-[(1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole

P597-0214 Screening compound: 1-ethyl-6-{5-[(1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole
P597-0214 Screening compound: 1-ethyl-6-{5-[(1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0214
1-ethyl-6-{5-[(1H-indol-3-yl)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

P597-0214

Molecular Formula

C20H17N5O (C20 H17 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cc(cc2)-c3noc(Cc4c[nH]c5c4cccc5)n3)c2nc1

InChI

InChI=1S/C20H17N5O/c1-2-25-12-22-17-8-7-13(9-18(17)25)20-23-19(26-24-20)10-14-11-21-16-6-4-3-5-15(14)16/h3-9,11-12,21H,2,10H2,1H3

InChI Key

MRVSNRCGWYRPLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.15

Polar Surface Area

51.362

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P597-0214 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with P597-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0214?
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What is the minimum amount of P597-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0214
  • 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 P597-0214 available by request