1988-2196 Screening compound: N'-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide

1988-2196 Screening compound: N'-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide
1988-2196 Screening compound: N'-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2196
N'-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide

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

1988-2196

Molecular Formula

C30H39N3O5 (C30 H39 N3 O5)

Compound Name

N'-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetohydrazide

IUPAC name

N'-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoyl]-2-[4-(244-trimethylpentan-2-yl)phenoxy]acetohydrazide

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(NNC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C30H39N3O5/c1-29(2,3)20-30(4,5)21-14-16-22(17-15-21)38-19-26(35)32-31-25(34)13-7-6-10-18-33-27(36)23-11-8-9-12-24(23)28(33)37/h8-9,11-12,14-17H,6-7,10,13,18-20H2,1-5H3,(H,31,34)(H,32,35)

InChI Key

PEOBDJKIXPSRDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.40

Polar Surface Area

88.010

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

1988-2196 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1988-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2196
  • 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 1988-2196 available by request