8007-1690 Screening compound: 1-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone

8007-1690 Screening compound: 1-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone
8007-1690 Screening compound: 1-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1690
1-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone

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

8007-1690

Molecular Formula

C12H10F11NO (C12 H10 F11 NO)

Compound Name

1-[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propenyl]-2-azepanone

IUPAC name

1-[11144555-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]azepan-2-one

SMILES

O=C(CCCCC1)N1C(C(C(F)(F)F)(F)F)=C(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H10F11NO/c13-9(14,12(21,22)23)8(7(10(15,16)17)11(18,19)20)24-5-3-1-2-4-6(24)25/h1-5H2

InChI Key

DCAUMFLZGNQRRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.655

Distribution Coefficient, logD

4.655

Water Solubility, LogSw

-4.37

Polar Surface Area

16.469

Acid Dissociation Constant (pKa)

21.94

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with 8007-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1690?
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What is the minimum amount of 8007-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1690
  • 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 8007-1690 available by request