7029-3675 Screening compound: ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate

7029-3675 Screening compound: ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate
7029-3675 Screening compound: ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7029-3675
ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate

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

7029-3675

Molecular Formula

C21H20N2O5 (C21 H20 N2 O5)

Compound Name

ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate

IUPAC name

ethyl 4-({[3-(3-hydroxyquinoxalin-2-yl)propanoyl]oxy}methyl)benzoate

SMILES

CCOC(c1ccc(COC(CCc2nc3ccccc3nc2O)=O)cc1)=O

InChI

InChI=1S/C21H20N2O5/c1-2-27-21(26)15-9-7-14(8-10-15)13-28-19(24)12-11-18-20(25)23-17-6-4-3-5-16(17)22-18/h3-10H,2,11-13H2,1H3,(H,23,25)

InChI Key

WUUSBNFXWHUVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05106037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.841

Distribution Coefficient, logD

3.607

Water Solubility, LogSw

-3.95

Polar Surface Area

76.414

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

7029-3675 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 7029-3675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7029-3675?
Check Price and Availability of 7029-3675, 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 7029-3675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7029-3675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7029-3675
  • 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 7029-3675 available by request