8007-1199 Screening compound: 2,2,3,3-tetrafluoropropyl (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoate

8007-1199 Screening compound: 2,2,3,3-tetrafluoropropyl (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoate
8007-1199 Screening compound: 2,2,3,3-tetrafluoropropyl (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1199
2,2,3,3-tetrafluoropropyl (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoate

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

8007-1199

Molecular Formula

C14H11F4NO3 (C14 H11 F4 NO3)

Compound Name

2,2,3,3-tetrafluoropropyl (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoate

IUPAC name

2233-tetrafluoropropyl (2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

SMILES

COc1ccc(/C=C(/C(OCC(C(F)F)(F)F)=O)\C#N)cc1

InChI

InChI=1S/C14H11F4NO3/c1-21-11-4-2-9(3-5-11)6-10(7-19)12(20)22-8-14(17,18)13(15)16/h2-6,13H,8H2,1H3

InChI Key

ZXYAECHRRVORPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.20

Polar Surface Area

45.968

Acid Dissociation Constant (pKa)

25.35

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8007-1199 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1199?
Check Price and Availability of 8007-1199, 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 8007-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1199
  • 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 8007-1199 available by request