P597-0030 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzimidazol-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}-2-furamide

P597-0030 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzimidazol-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}-2-furamide
P597-0030 Screening compound: N-{3-[3-(1-methyl-1H-1,3-benzimidazol-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-0030
N-{3-[3-(1-methyl-1H-1,3-benzimidazol-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}-2-furamide

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

P597-0030

Molecular Formula

C21H15N5O3 (C21 H15 N5 O3)

Compound Name

N-{3-[3-(1-methyl-1H-1,3-benzimidazol-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}-2-furamide

IUPAC name

N-{3-[3-(1-methyl-1H-13-benzodiazol-6-yl)-124-oxadiazol-5-yl]phenyl}furan-2-carboxamide

SMILES

Cn1c(cc(cc2)-c3noc(-c4cccc(NC(c5ccco5)=O)c4)n3)c2nc1

InChI

InChI=1S/C21H15N5O3/c1-26-12-22-16-8-7-13(11-17(16)26)19-24-21(29-25-19)14-4-2-5-15(10-14)23-20(27)18-6-3-9-28-18/h2-12H,1H3,(H,23,27)

InChI Key

PJMCAELDGVWSEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.13

Polar Surface Area

74.326

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

P597-0030 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P597-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-0030?
Check Price and Availability of P597-0030, 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 P597-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-0030
  • 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 P597-0030 available by request