8016-8539 Screening compound: 2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl cyanide

8016-8539 Screening compound: 2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl cyanide
8016-8539 Screening compound: 2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8539
2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl cyanide

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

8016-8539

Molecular Formula

C12H8F3N3O (C12 H8 F3 N3 O)

Compound Name

2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrol-3-yl cyanide

IUPAC name

2-amino-5-oxo-1-[4-(trifluoromethyl)phenyl]-45-dihydro-1H-pyrrole-3-carbonitrile

SMILES

NC(N(C(C1)=O)c2ccc(C(F)(F)F)cc2)=C1C#N

InChI

InChI=1S/C12H8F3N3O/c13-12(14,15)8-1-3-9(4-2-8)18-10(19)5-7(6-16)11(18)17/h1-4H,5,17H2

InChI Key

PMEKQIHBWZPHKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.524

Distribution Coefficient, logD

1.520

Water Solubility, LogSw

-1.94

Polar Surface Area

53.498

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8016-8539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8539?
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What is the minimum amount of 8016-8539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8539
  • 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 8016-8539 available by request