4491-1013 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide

4491-1013 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide
4491-1013 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1013
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide

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

4491-1013

Molecular Formula

C20H20N2O3 (C20 H20 N2 O3)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methyl-N-(4-methylphenyl)butanamide

SMILES

CC(C)C(C(Nc1ccc(C)cc1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C20H20N2O3/c1-12(2)17(18(23)21-14-10-8-13(3)9-11-14)22-19(24)15-6-4-5-7-16(15)20(22)25/h4-12,17H,1-3H3,(H,21,23)/t17-/m0/s1

InChI Key

LQNAMKBCLZNDFU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00376308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.29

Polar Surface Area

51.815

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4491-1013 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4491-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1013?
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What is the minimum amount of 4491-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1013
  • 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 4491-1013 available by request