P658-0594 Screening compound: 2-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

P658-0594 Screening compound: 2-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
P658-0594 Screening compound: 2-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P658-0594
2-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

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

P658-0594

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

2-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{[4-(5-cyclopropyl-134-oxadiazol-2-yl)furan-2-yl]sulfonyl}-1234-tetrahydroisoquinoline

SMILES

O=S(c1cc(-c2nnc(C3CC3)o2)co1)(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C18H17N3O4S/c22-26(23,21-8-7-12-3-1-2-4-14(12)10-21)16-9-15(11-24-16)18-20-19-17(25-18)13-5-6-13/h1-4,9,11,13H,5-8,10H2

InChI Key

KGQFWWOGVMOZRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.32

Polar Surface Area

72.537

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P658-0594 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P658-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P658-0594?
Check Price and Availability of P658-0594, 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 P658-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P658-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P658-0594
  • 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 P658-0594 available by request