P597-0377 Screening compound: 5-(1H-INDOL-3-YLMETHYL)-3-(1-ISOPROPYL-1H-1,3-BENZIMIDAZOL-6-YL)-1,2,4-OXADIAZOLE

P597-0377 Screening compound: 5-(1H-INDOL-3-YLMETHYL)-3-(1-ISOPROPYL-1H-1,3-BENZIMIDAZOL-6-YL)-1,2,4-OXADIAZOLE
P597-0377 Screening compound: 5-(1H-INDOL-3-YLMETHYL)-3-(1-ISOPROPYL-1H-1,3-BENZIMIDAZOL-6-YL)-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0377
5-(1H-INDOL-3-YLMETHYL)-3-(1-ISOPROPYL-1H-1,3-BENZIMIDAZOL-6-YL)-1,2,4-OXADIAZOLE

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

P597-0377

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

5-(1H-INDOL-3-YLMETHYL)-3-(1-ISOPROPYL-1H-1,3-BENZIMIDAZOL-6-YL)-1,2,4-OXADIAZOLE

IUPAC name

6-{5-[(1H-indol-3-yl)methyl]-124-oxadiazol-3-yl}-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(cc(cc2)-c3noc(Cc4c[nH]c5c4cccc5)n3)c2nc1

InChI

InChI=1S/C21H19N5O/c1-13(2)26-12-23-18-8-7-14(9-19(18)26)21-24-20(27-25-21)10-15-11-22-17-6-4-3-5-16(15)17/h3-9,11-13,22H,10H2,1-2H3

InChI Key

TXXSBAKMRDZASR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

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

4.717

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.80

Polar Surface Area

52.428

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

P597-0377 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P597-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0377?
Check Price and Availability of P597-0377, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P597-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0377
  • 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 P597-0377 available by request