8016-3138 Screening compound: 2-[2-oxo-2-(4-toluidino)ethoxy]acetic acid

8016-3138 Screening compound: 2-[2-oxo-2-(4-toluidino)ethoxy]acetic acid
8016-3138 Screening compound: 2-[2-oxo-2-(4-toluidino)ethoxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3138
2-[2-oxo-2-(4-toluidino)ethoxy]acetic acid

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

8016-3138

Molecular Formula

C11H13NO4 (C11 H13 NO4)

Compound Name

2-[2-oxo-2-(4-toluidino)ethoxy]acetic acid

IUPAC name

2-{[(4-methylphenyl)carbamoyl]methoxy}acetic acid

SMILES

Cc(cc1)ccc1NC(COCC(O)=O)=O

InChI

InChI=1S/C11H13NO4/c1-8-2-4-9(5-3-8)12-10(13)6-16-7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)

InChI Key

VNFXYWDWGNLTLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.998

Distribution Coefficient, logD

-2.532

Water Solubility, LogSw

-1.68

Polar Surface Area

60.206

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8016-3138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3138?
Check Price and Availability of 8016-3138, 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 8016-3138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3138
  • 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 8016-3138 available by request