8020-1064 Screening compound: 5-(3,5-difluorophenyl)cyclohexane-1,3-dione

8020-1064 Screening compound: 5-(3,5-difluorophenyl)cyclohexane-1,3-dione
8020-1064 Screening compound: 5-(3,5-difluorophenyl)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1064
5-(3,5-difluorophenyl)cyclohexane-1,3-dione

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

8020-1064

Molecular Formula

C12H10F2O2 (C12 H10 F2 O2)

Compound Name

5-(3,5-difluorophenyl)cyclohexane-1,3-dione

IUPAC name

5-(35-difluorophenyl)cyclohexane-13-dione

SMILES

O=C(CC(C1)c2cc(F)cc(F)c2)CC1=O

InChI

InChI=1S/C12H10F2O2/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(16)4-8/h1-2,5,8H,3-4,6H2

InChI Key

IPXMHIXARNRVBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08753431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

-2.119

Water Solubility, LogSw

-2.07

Polar Surface Area

26.858

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8020-1064 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 8020-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1064?
Check Price and Availability of 8020-1064, 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 8020-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1064
  • 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 8020-1064 available by request