8016-8927 Screening compound: N~1~-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]acetamide

8016-8927 Screening compound: N~1~-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]acetamide
8016-8927 Screening compound: N~1~-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8927
N~1~-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]acetamide

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

8016-8927

Molecular Formula

C17H17F3N2O3 (C17 H17 F3 N2 O3)

Compound Name

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

IUPAC name

N-[4-acetyl-1-benzyl-5-methyl-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-pyrrol-3-yl]acetamide

SMILES

CC(C(C1(C(F)(F)F)NC(C)=O)=C(C)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C17H17F3N2O3/c1-10-14(11(2)23)16(17(18,19)20,21-12(3)24)15(25)22(10)9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,21,24)/t16-/m0/s1

InChI Key

PMSUPGDRNYLEKZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05860065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.872

Distribution Coefficient, logD

-0.820

Water Solubility, LogSw

-2.35

Polar Surface Area

54.971

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

References: we are preparing a list of scientific research reports with 8016-8927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8927?
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What is the minimum amount of 8016-8927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8927
  • 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 8016-8927 available by request