8017-0578 Screening compound: 4'-(3,4-dimethoxyphenyl)-5-fluoro-3''-(2-furylmethyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione

8017-0578 Screening compound: 4'-(3,4-dimethoxyphenyl)-5-fluoro-3''-(2-furylmethyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione
8017-0578 Screening compound: 4'-(3,4-dimethoxyphenyl)-5-fluoro-3''-(2-furylmethyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0578
4'-(3,4-dimethoxyphenyl)-5-fluoro-3''-(2-furylmethyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione

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

8017-0578

Molecular Formula

C27H24FN3O5S2 (C27 H24 FN3 O5 S2)

Compound Name

4'-(3,4-dimethoxyphenyl)-5-fluoro-3''-(2-furylmethyl)-1'-methyl-2''-thioxo-4''H-dispiro[indole-3,2'-pyrrolidine-3',5''-[1,3]thiazolidine]-2,4''(1H)-dione

IUPAC name

4'-(34-dimethoxyphenyl)-5-fluoro-4''-[(furan-2-yl)methyl]-1'-methyl-5''-sulfanylidene-12-dihydrodispiro[indole-32'-pyrrolidine-3'2''-[14]thiazolidine]-23''-dione

SMILES

CN(CC(C1(C(N2Cc3ccco3)=O)SC2=S)c(cc2)cc(OC)c2OC)C1(c(cc(cc1)F)c1N1)C1=O

InChI

InChI=1S/C27H24FN3O5S2/c1-30-14-19(15-6-9-21(34-2)22(11-15)35-3)27(24(33)31(25(37)38-27)13-17-5-4-10-36-17)26(30)18-12-16(28)7-8-20(18)29-23(26)32/h4-12,19H,13-14H2,1-3H3,(H,29,32)

InChI Key

BCSXQFCGLJZPIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.44

Polar Surface Area

67.288

Acid Dissociation Constant (pKa)

7.66

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

29.63

References: we are preparing a list of scientific research reports with 8017-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0578?
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What is the minimum amount of 8017-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0578
  • 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 8017-0578 available by request