C673-0456 Screening compound: 2-[(6-{[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

C673-0456 Screening compound: 2-[(6-{[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid
C673-0456 Screening compound: 2-[(6-{[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0456
2-[(6-{[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic 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

C673-0456

Molecular Formula

C25H33N3O3S (C25 H33 N3 O3 S)

Compound Name

2-[(6-{[3-(3,5-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

IUPAC name

2-[(6-{[3-(35-dimethylpiperidin-1-yl)propyl]carbamoyl}-1H2H3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

SMILES

CC1CN(CCCNC(c2ccc3c(SCC(O)=O)c(CCC4)c4nc3c2)=O)CC(C)C1

InChI

InChI=1S/C25H33N3O3S/c1-16-11-17(2)14-28(13-16)10-4-9-26-25(31)18-7-8-20-22(12-18)27-21-6-3-5-19(21)24(20)32-15-23(29)30/h7-8,12,16-17H,3-6,9-11,13-15H2,1-2H3,(H,26,31)(H,29,30)

InChI Key

GVCALPZHROYZJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-4.00

Polar Surface Area

66.845

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

C673-0456 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C673-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0456?
Check Price and Availability of C673-0456, 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 C673-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0456
  • 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 C673-0456 available by request