8015-2318 Screening compound: 2-methyl-5-[(3-methyl-2-pyridyl)amino]-4-oxo-5-(trifluoromethyl)-4,5-dihydro-1H-pyrrol-3-yl cyanide

8015-2318 Screening compound: 2-methyl-5-[(3-methyl-2-pyridyl)amino]-4-oxo-5-(trifluoromethyl)-4,5-dihydro-1H-pyrrol-3-yl cyanide
8015-2318 Screening compound: 2-methyl-5-[(3-methyl-2-pyridyl)amino]-4-oxo-5-(trifluoromethyl)-4,5-dihydro-1H-pyrrol-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2318
2-methyl-5-[(3-methyl-2-pyridyl)amino]-4-oxo-5-(trifluoromethyl)-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

8015-2318

Molecular Formula

C13H11F3N4O (C13 H11 F3 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(C(F)(F)F)(C1=O)Nc2ncccc2C)=C1C#N

InChI

InChI=1S/C13H11F3N4O/c1-7-4-3-5-18-11(7)20-12(13(14,15)16)10(21)9(6-17)8(2)19-12/h3-5,19H,1-2H3,(H,18,20)/t12-/m0/s1

InChI Key

SISCSBLAKLUREN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03856173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

-1.435

Water Solubility, LogSw

-2.73

Polar Surface Area

62.003

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8015-2318 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-2318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2318?
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What is the minimum amount of 8015-2318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2318
  • 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 8015-2318 available by request