4458-0690 Screening compound: propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]benzoate

4458-0690 Screening compound: propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]benzoate
4458-0690 Screening compound: propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4458-0690
propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]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

4458-0690

Molecular Formula

C21H23NO5 (C21 H23 NO5)

Compound Name

propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]benzoate

IUPAC name

propyl 4-[4-(4-methylphenoxy)-4-oxobutanamido]benzoate

SMILES

CCCOC(c(cc1)ccc1NC(CCC(Oc1ccc(C)cc1)=O)=O)=O

InChI

InChI=1S/C21H23NO5/c1-3-14-26-21(25)16-6-8-17(9-7-16)22-19(23)12-13-20(24)27-18-10-4-15(2)5-11-18/h4-11H,3,12-14H2,1-2H3,(H,22,23)

InChI Key

LUVPEOIASZQLGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02813810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.26

Polar Surface Area

64.218

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4458-0690 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 4458-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4458-0690?
Check Price and Availability of 4458-0690, 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 4458-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4458-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4458-0690
  • 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 4458-0690 available by request