C708-0002 Screening compound: 7-({4-[(2,2-diethoxyethyl)carbamoyl]piperidin-1-yl}sulfonyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C708-0002 Screening compound: 7-({4-[(2,2-diethoxyethyl)carbamoyl]piperidin-1-yl}sulfonyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
C708-0002 Screening compound: 7-({4-[(2,2-diethoxyethyl)carbamoyl]piperidin-1-yl}sulfonyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C708-0002
7-({4-[(2,2-diethoxyethyl)carbamoyl]piperidin-1-yl}sulfonyl)-2-methyl-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

C708-0002

Molecular Formula

C27H37N3O7S (C27 H37 N3 O7 S)

Compound Name

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

IUPAC name

7-({4-[(22-diethoxyethyl)carbamoyl]piperidin-1-yl}sulfonyl)-2-methyl-1234-tetrahydroacridine-9-carboxylic acid

SMILES

CCOC(CNC(C(CC1)CCN1S(c1cc2c(C(O)=O)c(CC(C)CC3)c3nc2cc1)(=O)=O)=O)OCC

InChI

InChI=1S/C27H37N3O7S/c1-4-36-24(37-5-2)16-28-26(31)18-10-12-30(13-11-18)38(34,35)19-7-9-23-21(15-19)25(27(32)33)20-14-17(3)6-8-22(20)29-23/h7,9,15,17-18,24H,4-6,8,10-14,16H2,1-3H3,(H,28,31)(H,32,33)/t17-/m1/s1

InChI Key

CQRPBGVRAORAOI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14786845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

0.166

Water Solubility, LogSw

-3.55

Polar Surface Area

109.449

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.30

C708-0002 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C708-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C708-0002?
Check Price and Availability of C708-0002, 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 C708-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C708-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C708-0002
  • 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 C708-0002 available by request