8019-1413 Screening compound: methyl (2E)-3,3,3-trifluoro-2-{[(3-hydroxyphenyl)formamido]imino}propanoate

8019-1413 Screening compound: methyl (2E)-3,3,3-trifluoro-2-{[(3-hydroxyphenyl)formamido]imino}propanoate
8019-1413 Screening compound: methyl (2E)-3,3,3-trifluoro-2-{[(3-hydroxyphenyl)formamido]imino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1413
methyl (2E)-3,3,3-trifluoro-2-{[(3-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

8019-1413

Molecular Formula

C11H9F3N2O4 (C11 H9 F3 N2 O4)

Compound Name

methyl (2E)-3,3,3-trifluoro-2-{[(3-hydroxyphenyl)formamido]imino}propanoate

IUPAC name

methyl (2E)-333-trifluoro-2-{[(3-hydroxyphenyl)formamido]imino}propanoate

SMILES

COC(/C(/C(F)(F)F)=N\NC(c1cc(O)ccc1)=O)=O

InChI

InChI=1S/C11H9F3N2O4/c1-20-10(19)8(11(12,13)14)15-16-9(18)6-3-2-4-7(17)5-6/h2-5,17H,1H3,(H,16,18)

InChI Key

GBKRGFZHJJWAPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.2

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

2.073

Distribution Coefficient, logD

-0.499

Water Solubility, LogSw

-2.40

Polar Surface Area

74.135

Acid Dissociation Constant (pKa)

4.83

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8019-1413 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 8019-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1413?
Check Price and Availability of 8019-1413, 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 8019-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1413
  • 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 8019-1413 available by request