2117-0056 Screening compound: ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

2117-0056 Screening compound: ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
2117-0056 Screening compound: ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2117-0056
ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

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

2117-0056

Molecular Formula

C32H29N3O8 (C32 H29 N3 O8)

Compound Name

ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

IUPAC name

ethyl 3-{4-[(2Z)-3-[4-(acetyloxy)phenyl]-2-acetamidoprop-2-enamido]phenyl}-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoate

SMILES

CCOC(C(Cc(cc1)ccc1NC(/C(/NC(C)=O)=C/c(cc1)ccc1OC(C)=O)=O)N(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C32H29N3O8/c1-4-42-32(41)28(35-30(39)25-7-5-6-8-26(25)31(35)40)18-22-9-13-23(14-10-22)34-29(38)27(33-19(2)36)17-21-11-15-24(16-12-21)43-20(3)37/h5-17,28H,4,18H2,1-3H3,(H,33,36)(H,34,38)/t28-/m0/s1

InChI Key

DKXZTQMNGUHVLK-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD00472867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.842

Water Solubility, LogSw

-4.17

Polar Surface Area

115.108

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

2117-0056 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2117-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2117-0056?
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What is the minimum amount of 2117-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2117-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2117-0056
  • 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 2117-0056 available by request