8015-0285 Screening compound: 2-[1-(4-acetylanilino)-2,2,2-trifluoroethylidene]malononitrile

8015-0285 Screening compound: 2-[1-(4-acetylanilino)-2,2,2-trifluoroethylidene]malononitrile
8015-0285 Screening compound: 2-[1-(4-acetylanilino)-2,2,2-trifluoroethylidene]malononitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0285
2-[1-(4-acetylanilino)-2,2,2-trifluoroethylidene]malononitrile

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

8015-0285

Molecular Formula

C13H8F3N3O (C13 H8 F3 N3 O)

Compound Name

2-[1-(4-acetylanilino)-2,2,2-trifluoroethylidene]malononitrile

IUPAC name

2-{1-[(4-acetylphenyl)amino]-222-trifluoroethylidene}propanedinitrile

SMILES

CC(c(cc1)ccc1NC(C(F)(F)F)=C(C#N)C#N)=O

InChI

InChI=1S/C13H8F3N3O/c1-8(20)9-2-4-11(5-3-9)19-12(13(14,15)16)10(6-17)7-18/h2-5,19H,1H3

InChI Key

FNLMDMDVIWXWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.156

Distribution Coefficient, logD

-3.533

Water Solubility, LogSw

-2.86

Polar Surface Area

58.588

Acid Dissociation Constant (pKa)

1.71

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

References: we are preparing a list of scientific research reports with 8015-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0285?
Check Price and Availability of 8015-0285, 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 8015-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0285
  • 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 8015-0285 available by request