C301-0126 Screening compound: methyl 4-[4-(4-methoxyphenyl)-2,4-dioxobutanamido]benzoate

C301-0126 Screening compound: methyl 4-[4-(4-methoxyphenyl)-2,4-dioxobutanamido]benzoate
C301-0126 Screening compound: methyl 4-[4-(4-methoxyphenyl)-2,4-dioxobutanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0126
methyl 4-[4-(4-methoxyphenyl)-2,4-dioxobutanamido]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

C301-0126

Molecular Formula

C19H17NO6 (C19 H17 NO6)

Compound Name

methyl 4-[4-(4-methoxyphenyl)-2,4-dioxobutanamido]benzoate

IUPAC name

methyl 4-[4-(4-methoxyphenyl)-24-dioxobutanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(CC(c(cc1)ccc1OC)=O)=O)=O)=O

InChI

InChI=1S/C19H17NO6/c1-25-15-9-5-12(6-10-15)16(21)11-17(22)18(23)20-14-7-3-13(4-8-14)19(24)26-2/h3-10H,11H2,1-2H3,(H,20,23)

InChI Key

ISJLCTXDBDCWHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-2.87

Polar Surface Area

78.541

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

C301-0126 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 C301-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0126?
Check Price and Availability of C301-0126, 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 C301-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0126
  • 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 C301-0126 available by request