3793-3914 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

3793-3914 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide
3793-3914 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-3914
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

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

3793-3914

Molecular Formula

C26H27N5O5S (C26 H27 N5 O5 S)

Compound Name

N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

IUPAC name

N-{4-[(26-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc(cc1)ccc1S(Nc1nc(C)nc(C)c1)(=O)=O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C26H27N5O5S/c1-15(2)13-22(31-25(33)20-7-5-6-8-21(20)26(31)34)24(32)29-18-9-11-19(12-10-18)37(35,36)30-23-14-16(3)27-17(4)28-23/h5-12,14-15,22H,13H2,1-4H3,(H,29,32)(H,27,28,30)/t22-/m0/s1

InChI Key

HCIYZCVSPKOWKO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02356614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-3.81

Polar Surface Area

110.987

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

3793-3914 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3793-3914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-3914?
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What is the minimum amount of 3793-3914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-3914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-3914
  • 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 3793-3914 available by request