1988-0861 Screening compound: propyl 4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}benzoate

1988-0861 Screening compound: propyl 4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}benzoate
1988-0861 Screening compound: propyl 4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-0861
propyl 4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}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

1988-0861

Molecular Formula

C26H35NO4 (C26 H35 NO4)

Compound Name

propyl 4-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}benzoate

IUPAC name

propyl 4-{2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}benzoate

SMILES

CCCOC(c(cc1)ccc1NC(COc1ccc(C(C)(C)CC(C)(C)C)cc1)=O)=O

InChI

InChI=1S/C26H35NO4/c1-7-16-30-24(29)19-8-12-21(13-9-19)27-23(28)17-31-22-14-10-20(11-15-22)26(5,6)18-25(2,3)4/h8-15H,7,16-18H2,1-6H3,(H,27,28)

InChI Key

IMVBOINBICRNRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01181286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.307

Distribution Coefficient, logD

7.307

Water Solubility, LogSw

-5.78

Polar Surface Area

51.663

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

1988-0861 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1988-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-0861?
Check Price and Availability of 1988-0861, 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 1988-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-0861
  • 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 1988-0861 available by request