1986-3906 Screening compound: ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate

1986-3906 Screening compound: ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate
1986-3906 Screening compound: ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1986-3906
ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate

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

1986-3906

Molecular Formula

C12H14N2O4 (C12 H14 N2 O4)

Compound Name

ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate

IUPAC name

ethyl (2Z)-2-{[(4-hydroxyphenyl)formamido]imino}propanoate

SMILES

CCOC(/C(/C)=N\NC(c(cc1)ccc1O)=O)=O

InChI

InChI=1S/C12H14N2O4/c1-3-18-12(17)8(2)13-14-11(16)9-4-6-10(15)7-5-9/h4-7,15H,3H2,1-2H3,(H,14,16)

InChI Key

KFAWQBWUORHAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.342

Distribution Coefficient, logD

-0.816

Water Solubility, LogSw

-1.84

Polar Surface Area

73.484

Acid Dissociation Constant (pKa)

5.24

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1986-3906 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1986-3906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1986-3906?
Check Price and Availability of 1986-3906, 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 1986-3906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1986-3906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1986-3906
  • 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 1986-3906 available by request