1021-0003 Screening compound: N-(4-chlorophenyl)-N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

1021-0003 Screening compound: N-(4-chlorophenyl)-N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
1021-0003 Screening compound: N-(4-chlorophenyl)-N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1021-0003
N-(4-chlorophenyl)-N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

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

1021-0003

Molecular Formula

C17H10ClF3N2O3 (C17 H10 ClF3 N2 O3)

Compound Name

N-(4-chlorophenyl)-N-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2,2,2-trifluoroacetamide

IUPAC name

N-(4-chlorophenyl)-N-[(13-dioxo-23-dihydro-1H-isoindol-2-yl)methyl]-222-trifluoroacetamide

SMILES

O=C(C(F)(F)F)N(CN(C(c1c2cccc1)=O)C2=O)c(cc1)ccc1Cl

InChI

InChI=1S/C17H10ClF3N2O3/c18-10-5-7-11(8-6-10)22(16(26)17(19,20)21)9-23-14(24)12-3-1-2-4-13(12)15(23)25/h1-8H,9H2

InChI Key

QFAICFKLDGESLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.52

Polar Surface Area

46.808

Acid Dissociation Constant (pKa)

31.06

Base Dissociation Constant (pKb)

-9.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1021-0003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1021-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1021-0003?
Check Price and Availability of 1021-0003, 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 1021-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1021-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1021-0003
  • 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 1021-0003 available by request