R090-0018 Screening compound: 1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate

R090-0018 Screening compound: 1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate
R090-0018 Screening compound: 1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound R090-0018
1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate

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

R090-0018

Molecular Formula

C10H11NO4 (C10 H11 NO4)

Compound Name

1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-aminobenzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(N)c1C(OC)=O)=O

InChI

InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3

InChI Key

DSSKDXUDARIMTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00008427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.798

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-2.33

Polar Surface Area

62.682

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

R090-0018 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with R090-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R090-0018?
Check Price and Availability of R090-0018, 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 R090-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R090-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R090-0018
  • 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 R090-0018 available by request