7965-0644 Screening compound: 2-{1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

7965-0644 Screening compound: 2-{1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid
7965-0644 Screening compound: 2-{1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7965-0644
2-{1-[(3,4-dimethoxyphenyl)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

7965-0644

Molecular Formula

C15H20N2O5 (C15 H20 N2 O5)

Compound Name

2-{1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

IUPAC name

2-{1-[(34-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

SMILES

COc(ccc(CN(CCN1)C(CC(O)=O)C1=O)c1)c1OC

InChI

InChI=1S/C15H20N2O5/c1-21-12-4-3-10(7-13(12)22-2)9-17-6-5-16-15(20)11(17)8-14(18)19/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)(H,18,19)/t11-/m0/s1

InChI Key

FDEWUQADCXNEKR-NSHDSACASA-N

MDL Number (MFCD)

MFCD05666777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.494

Distribution Coefficient, logD

-3.443

Water Solubility, LogSw

-1.78

Polar Surface Area

72.332

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

7965-0644 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 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 7965-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7965-0644?
Check Price and Availability of 7965-0644, 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 7965-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7965-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7965-0644
  • 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 7965-0644 available by request