3002-0167 Screening compound: propyl 3-{2-[4-(propan-2-yl)phenoxy]acetamido}benzoate

3002-0167 Screening compound: propyl 3-{2-[4-(propan-2-yl)phenoxy]acetamido}benzoate
3002-0167 Screening compound: propyl 3-{2-[4-(propan-2-yl)phenoxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3002-0167
propyl 3-{2-[4-(propan-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

3002-0167

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

propyl 3-{2-[4-(propan-2-yl)phenoxy]acetamido}benzoate

IUPAC name

propyl 3-{2-[4-(propan-2-yl)phenoxy]acetamido}benzoate

SMILES

CCCOC(c1cc(NC(COc2ccc(C(C)C)cc2)=O)ccc1)=O

InChI

InChI=1S/C21H25NO4/c1-4-12-25-21(24)17-6-5-7-18(13-17)22-20(23)14-26-19-10-8-16(9-11-19)15(2)3/h5-11,13,15H,4,12,14H2,1-3H3,(H,22,23)

InChI Key

RJJGJBVSMNMDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.51

Polar Surface Area

51.663

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3002-0167 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3002-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3002-0167?
Check Price and Availability of 3002-0167, 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 3002-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3002-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3002-0167
  • 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 3002-0167 available by request