C430-0876 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

C430-0876 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
C430-0876 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0876
3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)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

C430-0876

Molecular Formula

C20H21NO5 (C20 H21 NO5)

Compound Name

3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

IUPAC name

3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanoic acid

SMILES

CCOc(ccc(C(CC(O)=O)N(Cc1c2cccc1)C2=O)c1)c1OC

InChI

InChI=1S/C20H21NO5/c1-3-26-17-9-8-13(10-18(17)25-2)16(11-19(22)23)21-12-14-6-4-5-7-15(14)20(21)24/h4-10,16H,3,11-12H2,1-2H3,(H,22,23)/t16-/m0/s1

InChI Key

WZEKARMABXOCRW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03791214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

-0.513

Water Solubility, LogSw

-2.89

Polar Surface Area

59.200

Acid Dissociation Constant (pKa)

4.76

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C430-0876 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C430-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0876?
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What is the minimum amount of C430-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0876
  • 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 C430-0876 available by request