P658-0421 Screening compound: 2-({4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline

P658-0421 Screening compound: 2-({4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline
P658-0421 Screening compound: 2-({4-[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-yl}sulfonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P658-0421
2-({4-[5-(propan-2-yl)-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

P658-0421

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nnc(-c2coc(S(N(CC3)Cc4c3cccc4)(=O)=O)c2)o1

InChI

InChI=1S/C18H19N3O4S/c1-12(2)17-19-20-18(25-17)15-9-16(24-11-15)26(22,23)21-8-7-13-5-3-4-6-14(13)10-21/h3-6,9,11-12H,7-8,10H2,1-2H3

InChI Key

GGICJMKVEQFBDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

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

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.50

Polar Surface Area

72.285

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P658-0421 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P658-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P658-0421?
Check Price and Availability of P658-0421, 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 P658-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P658-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P658-0421
  • 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 P658-0421 available by request