1988-2244 Screening compound: ethyl 2-{2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-1,3-thiazol-4-yl}acetate

1988-2244 Screening compound: ethyl 2-{2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-1,3-thiazol-4-yl}acetate
1988-2244 Screening compound: ethyl 2-{2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2244
ethyl 2-{2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-1,3-thiazol-4-yl}acetate

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

1988-2244

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

ethyl 2-{2-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(CCCCCN(C(c2c3cccc2)=O)C3=O)=O)n1)=O

InChI

InChI=1S/C21H23N3O5S/c1-2-29-18(26)12-14-13-30-21(22-14)23-17(25)10-4-3-7-11-24-19(27)15-8-5-6-9-16(15)20(24)28/h5-6,8-9,13H,2-4,7,10-12H2,1H3,(H,22,23,25)

InChI Key

ZKVQXJQPGWJBOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.51

Polar Surface Area

83.319

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

1988-2244 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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 1988-2244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-2244?
Check Price and Availability of 1988-2244, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1988-2244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2244
  • 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 1988-2244 available by request