D216-2070 Screening compound: 3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic acid

D216-2070 Screening compound: 3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic acid
D216-2070 Screening compound: 3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-2070
3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic 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

D216-2070

Molecular Formula

C15H18N2O4 (C15 H18 N2 O4)

Compound Name

3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic acid

IUPAC name

3-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}carbamoyl)propanoic acid

SMILES

OC(CCC(NCc(cc1)ccc1N(CCC1)C1=O)=O)=O

InChI

InChI=1S/C15H18N2O4/c18-13(7-8-15(20)21)16-10-11-3-5-12(6-4-11)17-9-1-2-14(17)19/h3-6H,1-2,7-10H2,(H,16,18)(H,20,21)

InChI Key

MTNAPRHYKJNDND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14814577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.277

Distribution Coefficient, logD

-2.673

Water Solubility, LogSw

-1.71

Polar Surface Area

69.910

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D216-2070 in Drug Discovery

Included in Screening Libraries

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

Arginase Targeted Library (2009 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with D216-2070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-2070?
Check Price and Availability of D216-2070, 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 D216-2070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-2070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-2070
  • 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 D216-2070 available by request