4130-5376 Screening compound: 3,4,5-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide

4130-5376 Screening compound: 3,4,5-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide
4130-5376 Screening compound: 3,4,5-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5376
3,4,5-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide

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

4130-5376

Molecular Formula

C21H27NO5 (C21 H27 NO5)

Compound Name

3,4,5-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide

IUPAC name

345-triethoxy-N-[(2-methoxyphenyl)methyl]benzamide

SMILES

CCOc1cc(C(NCc(cccc2)c2OC)=O)cc(OCC)c1OCC

InChI

InChI=1S/C21H27NO5/c1-5-25-18-12-16(13-19(26-6-2)20(18)27-7-3)21(23)22-14-15-10-8-9-11-17(15)24-4/h8-13H,5-7,14H2,1-4H3,(H,22,23)

InChI Key

CRLJRNIQZVBRDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

3.648

Water Solubility, LogSw

-3.81

Polar Surface Area

54.000

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

4130-5376 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4130-5376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5376?
Check Price and Availability of 4130-5376, 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 4130-5376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5376
  • 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 4130-5376 available by request