1988-2242 Screening compound: ethyl 2-{2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-1,3-thiazol-4-yl}acetate

1988-2242 Screening compound: ethyl 2-{2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-1,3-thiazol-4-yl}acetate
1988-2242 Screening compound: ethyl 2-{2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-2242
ethyl 2-{2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-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

1988-2242

Molecular Formula

C18H17N3O5S (C18 H17 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 2-{2-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanamido]-13-thiazol-4-yl}acetate

SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-2-26-15(23)9-11-10-27-18(19-11)20-14(22)7-8-21-16(24)12-5-3-4-6-13(12)17(21)25/h3-6,10H,2,7-9H2,1H3,(H,19,20,22)

InChI Key

AQCRTSVIHPCUIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.071

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.99

Polar Surface Area

83.319

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

1988-2242 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1988-2242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-2242?
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What is the minimum amount of 1988-2242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-2242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-2242
  • 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 1988-2242 available by request