1682-2969 Screening compound: N-(3-acetylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamide

1682-2969 Screening compound: N-(3-acetylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamide
1682-2969 Screening compound: N-(3-acetylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2969
N-(3-acetylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamide

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

1682-2969

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

N-(3-acetylphenyl)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamide

IUPAC name

N-(3-acetylphenyl)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamide

SMILES

CC(C)C(C(Nc1cc(C(C)=O)ccc1)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C21H20N2O4/c1-12(2)18(19(25)22-15-8-6-7-14(11-15)13(3)24)23-20(26)16-9-4-5-10-17(16)21(23)27/h4-12,18H,1-3H3,(H,22,25)/t18-/m0/s1

InChI Key

ZFRBKQVAXYRFDI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00707973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.79

Polar Surface Area

65.642

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

1682-2969 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 1682-2969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2969?
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What is the minimum amount of 1682-2969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2969
  • 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 1682-2969 available by request