8012-3128 Screening compound: methyl 3,4,5-trimethoxy-2-[(methoxycarbonyl)amino]benzoate

8012-3128 Screening compound: methyl 3,4,5-trimethoxy-2-[(methoxycarbonyl)amino]benzoate
8012-3128 Screening compound: methyl 3,4,5-trimethoxy-2-[(methoxycarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3128
methyl 3,4,5-trimethoxy-2-[(methoxycarbonyl)amino]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

8012-3128

Molecular Formula

C13H17NO7 (C13 H17 NO7)

Compound Name

methyl 3,4,5-trimethoxy-2-[(methoxycarbonyl)amino]benzoate

IUPAC name

methyl 345-trimethoxy-2-[(methoxycarbonyl)amino]benzoate

SMILES

COC(c(c(NC(OC)=O)c1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C13H17NO7/c1-17-8-6-7(12(15)20-4)9(14-13(16)21-5)11(19-3)10(8)18-2/h6H,1-5H3,(H,14,16)

InChI Key

SIACYYUWRAZSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

-1.187

Water Solubility, LogSw

-2.13

Polar Surface Area

74.945

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8012-3128 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8012-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3128?
Check Price and Availability of 8012-3128, 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 8012-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3128
  • 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 8012-3128 available by request