C800-0011 Screening compound: 7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C800-0011 Screening compound: 7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
C800-0011 Screening compound: 7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]-1,2,3,4-tetrahydroacridine-9-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0011
7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]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

C800-0011

Molecular Formula

C30H35N3O7S (C30 H35 N3 O7 S)

Compound Name

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

IUPAC name

7-[(4-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}piperidin-1-yl)sulfonyl]-1234-tetrahydroacridine-9-carboxylic acid

SMILES

COc(ccc(CCNC(C(CC1)CCN1S(c1cc2c(C(O)=O)c(CCCC3)c3nc2cc1)(=O)=O)=O)c1)c1OC

InChI

InChI=1S/C30H35N3O7S/c1-39-26-10-7-19(17-27(26)40-2)11-14-31-29(34)20-12-15-33(16-13-20)41(37,38)21-8-9-25-23(18-21)28(30(35)36)22-5-3-4-6-24(22)32-25/h7-10,17-18,20H,3-6,11-16H2,1-2H3,(H,31,34)(H,35,36)

InChI Key

ISVPAXDOGVXCMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

0.298

Water Solubility, LogSw

-3.72

Polar Surface Area

109.625

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.30

C800-0011 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C800-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0011?
Check Price and Availability of C800-0011, 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 C800-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0011
  • 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 C800-0011 available by request