7837-0221 Screening compound: 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

7837-0221 Screening compound: 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid
7837-0221 Screening compound: 2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7837-0221
2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}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

7837-0221

Molecular Formula

C14H18N2O3 (C14 H18 N2 O3)

Compound Name

2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

IUPAC name

2-{1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

SMILES

Cc1c(CN(CCN2)C(CC(O)=O)C2=O)cccc1

InChI

InChI=1S/C14H18N2O3/c1-10-4-2-3-5-11(10)9-16-7-6-15-14(19)12(16)8-13(17)18/h2-5,12H,6-9H2,1H3,(H,15,19)(H,17,18)/t12-/m0/s1

InChI Key

DOQDFWIQOVQQIL-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05666711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.686

Distribution Coefficient, logD

-2.264

Water Solubility, LogSw

-1.66

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

7837-0221 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7837-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7837-0221?
Check Price and Availability of 7837-0221, 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 7837-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7837-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7837-0221
  • 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 7837-0221 available by request