8009-1277 Screening compound: ethyl 2-[(2Z)-4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]acetate

8009-1277 Screening compound: ethyl 2-[(2Z)-4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]acetate
8009-1277 Screening compound: ethyl 2-[(2Z)-4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1277
ethyl 2-[(2Z)-4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-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

8009-1277

Molecular Formula

C27H21N3O4S (C27 H21 N3 O4 S)

Compound Name

ethyl 2-[(2Z)-4-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-2,3-dihydro-1,3-thiazol-3-yl]acetate

IUPAC name

ethyl 2-[(2Z)-4-[3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]-2-(phenylimino)-23-dihydro-13-thiazol-3-yl]acetate

SMILES

CCOC(CN(C(c1cc(N(C(c2c3cccc2)=O)C3=O)ccc1)=CS1)/C1=N/c1ccccc1)=O

InChI

InChI=1S/C27H21N3O4S/c1-2-34-24(31)16-29-23(17-35-27(29)28-19-10-4-3-5-11-19)18-9-8-12-20(15-18)30-25(32)21-13-6-7-14-22(21)26(30)33/h3-15,17H,2,16H2,1H3

InChI Key

GGIUMNXMABAEAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461388

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.62

Polar Surface Area

60.375

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 8009-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1277
  • 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 8009-1277 available by request