K780-0135 Screening compound: 2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl}acetic acid

K780-0135 Screening compound: 2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl}acetic acid
K780-0135 Screening compound: 2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0135
2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-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

K780-0135

Molecular Formula

C13H16N2O3 (C13 H16 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(CCN2CC(O)=O)C2=O)c1

InChI

InChI=1S/C13H16N2O3/c1-10-3-2-4-11(7-10)8-14-5-6-15(13(14)18)9-12(16)17/h2-4,7H,5-6,8-9H2,1H3,(H,16,17)

InChI Key

XKSRCHIZMWYGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.515

Distribution Coefficient, logD

-3.109

Water Solubility, LogSw

-1.25

Polar Surface Area

49.264

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K780-0135 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K780-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0135?
Check Price and Availability of K780-0135, 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 K780-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0135
  • 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 K780-0135 available by request