1823-0636 Screening compound: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid

1823-0636 Screening compound: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid
1823-0636 Screening compound: 5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1823-0636
5-[4-(2-methoxyphenyl)piperazin-1-yl]-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

1823-0636

Molecular Formula

C16H22N2O4 (C16 H22 N2 O4)

Compound Name

5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid

IUPAC name

5-[4-(2-methoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid

SMILES

COc(cccc1)c1N(CC1)CCN1C(CCCC(O)=O)=O

InChI

InChI=1S/C16H22N2O4/c1-22-14-6-3-2-5-13(14)17-9-11-18(12-10-17)15(19)7-4-8-16(20)21/h2-3,5-6H,4,7-12H2,1H3,(H,20,21)

InChI Key

WTVOCFSOTYTTCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00591041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.872

Distribution Coefficient, logD

-1.725

Water Solubility, LogSw

-1.48

Polar Surface Area

55.605

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

1823-0636 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 compounds)

Frequent Hitters Library (7624 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with 1823-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1823-0636?
Check Price and Availability of 1823-0636, 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 1823-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1823-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1823-0636
  • 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 1823-0636 available by request