D715-0118 Screening compound: 2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-phenylpropanoic acid

D715-0118 Screening compound: 2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-phenylpropanoic acid
D715-0118 Screening compound: 2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D715-0118
2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-phenylpropanoic 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

D715-0118

Molecular Formula

C22H20N2O6 (C22 H20 N2 O6)

Compound Name

2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-3-phenylpropanoic acid

IUPAC name

(2S)-2-({5-ethyl-8-oxo-2H5H8H-[13]dioxolo[45-g]quinolin-7-yl}formamido)-3-phenylpropanoic acid

SMILES

CCN(C=C1C(N[C@@H](Cc2ccccc2)C(O)=O)=O)c(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C22H20N2O6/c1-2-24-11-15(20(25)14-9-18-19(10-17(14)24)30-12-29-18)21(26)23-16(22(27)28)8-13-6-4-3-5-7-13/h3-7,9-11,16H,2,8,12H2,1H3,(H,23,26)(H,27,28)/t16-/m0/s1

InChI Key

GMUVKSIPHPNWJE-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.866

Distribution Coefficient, logD

-1.473

Water Solubility, LogSw

-2.82

Polar Surface Area

85.126

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D715-0118 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Anti-Aging Library (44940 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with D715-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D715-0118?
Check Price and Availability of D715-0118, 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 D715-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D715-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D715-0118
  • 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 D715-0118 available by request