C708-0050 Screening compound: 2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C708-0050 Screening compound: 2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
C708-0050 Screening compound: 2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C708-0050
2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

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

C708-0050

Molecular Formula

C26H33N3O6S (C26 H33 N3 O6 S)

Compound Name

2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

IUPAC name

2-methyl-7-[(4-{[(oxolan-2-yl)methyl]carbamoyl}piperidin-1-yl)sulfonyl]-1234-tetrahydroacridine-9-carboxylic acid

SMILES

CC(CC1)Cc2c1nc(ccc(S(N(CC1)CCC1C(NCC1OCCC1)=O)(=O)=O)c1)c1c2C(O)=O

InChI

InChI=1S/C26H33N3O6S/c1-16-4-6-22-20(13-16)24(26(31)32)21-14-19(5-7-23(21)28-22)36(33,34)29-10-8-17(9-11-29)25(30)27-15-18-3-2-12-35-18/h5,7,14,16-18H,2-4,6,8-13,15H2,1H3,(H,27,30)(H,31,32)

InChI Key

HSOFUPNNSNXGDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

-0.151

Water Solubility, LogSw

-3.35

Polar Surface Area

103.177

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.70

C708-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C708-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C708-0050?
Check Price and Availability of C708-0050, 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 C708-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C708-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C708-0050
  • 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 C708-0050 available by request