1682-2991 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

1682-2991 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
1682-2991 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2991
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

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

1682-2991

Molecular Formula

C21H19F3N2O3 (C21 H19 F3 N2 O3)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide

SMILES

CC(C)CC(C(Nc1cccc(C(F)(F)F)c1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C21H19F3N2O3/c1-12(2)10-17(26-19(28)15-8-3-4-9-16(15)20(26)29)18(27)25-14-7-5-6-13(11-14)21(22,23)24/h3-9,11-12,17H,10H2,1-2H3,(H,25,27)/t17-/m0/s1

InChI Key

TYWLBGRCFRYJMF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00707992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-4.96

Polar Surface Area

51.779

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

1682-2991 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1682-2991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2991?
Check Price and Availability of 1682-2991, 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 1682-2991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2991
  • 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 1682-2991 available by request