Y200-6179 Screening compound: 5-[(3-chlorophenethyl)amino]-5-oxopentanoic acid

Y200-6179 Screening compound: 5-[(3-chlorophenethyl)amino]-5-oxopentanoic acid
Y200-6179 Screening compound: 5-[(3-chlorophenethyl)amino]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6179
5-[(3-chlorophenethyl)amino]-5-oxopentanoic 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

Y200-6179

Molecular Formula

C13H16ClNO3 (C13 H16 ClNO3)

Compound Name

5-[(3-chlorophenethyl)amino]-5-oxopentanoic acid

IUPAC name

4-{[2-(3-chlorophenyl)ethyl]carbamoyl}butanoic acid

SMILES

OC(CCCC(NCCc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C13H16ClNO3/c14-11-4-1-3-10(9-11)7-8-15-12(16)5-2-6-13(17)18/h1,3-4,9H,2,5-8H2,(H,15,16)(H,17,18)

InChI Key

ZECLIOORQNFEAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03384399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

-1.693

Water Solubility, LogSw

-2.15

Polar Surface Area

52.935

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

Y200-6179 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y200-6179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6179?
Check Price and Availability of Y200-6179, 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 Y200-6179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6179
  • 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 Y200-6179 available by request