8015-4006 Screening compound: N~1~-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide

8015-4006 Screening compound: N~1~-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide
8015-4006 Screening compound: N~1~-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4006
N~1~-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide

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

8015-4006

Molecular Formula

C16H14F3N3O2 (C16 H14 F3 N3 O2)

Compound Name

N~1~-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide

IUPAC name

N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-pyrrol-3-yl]-3-phenylpropanamide

SMILES

CC(NC(C1(C(F)(F)F)NC(CCc2ccccc2)=O)=O)=C1C#N

InChI

InChI=1S/C16H14F3N3O2/c1-10-12(9-20)15(14(24)21-10,16(17,18)19)22-13(23)8-7-11-5-3-2-4-6-11/h2-6H,7-8H2,1H3,(H,21,24)(H,22,23)/t15-/m0/s1

InChI Key

XPYHEDFATANRRD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04061235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-2.75

Polar Surface Area

66.742

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with 8015-4006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4006?
Check Price and Availability of 8015-4006, 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 8015-4006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4006
  • 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 8015-4006 available by request