8019-0387 Screening compound: 5-ethoxy-4''-[(furan-2-yl)methyl]-1,1'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione

8019-0387 Screening compound: 5-ethoxy-4''-[(furan-2-yl)methyl]-1,1'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione
8019-0387 Screening compound: 5-ethoxy-4''-[(furan-2-yl)methyl]-1,1'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0387
5-ethoxy-4''-[(furan-2-yl)methyl]-1,1'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-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

8019-0387

Molecular Formula

C27H26N4O4S2 (C27 H26 N4 O4 S2)

Compound Name

5-ethoxy-4''-[(furan-2-yl)methyl]-1,1'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione

IUPAC name

(3R3'R4'R)-5-ethoxy-4''-[(furan-2-yl)methyl]-11'-dimethyl-4'-(pyridin-3-yl)-5''-sulfanylidene-12-dihydrodispiro[indole-32'-pyrrolidine-3'2''-[14]thiazolidine]-23''-dione

SMILES

CCOc(cc1)cc([C@]2([C@@]3(C(N4Cc5ccco5)=O)SC4=S)N(C)C[C@@H]3c3cnccc3)c1N(C)C2=O

InChI

InChI=1S/C27H26N4O4S2/c1-4-34-18-9-10-22-20(13-18)26(23(32)30(22)3)27(21(16-29(26)2)17-7-5-11-28-14-17)24(33)31(25(36)37-27)15-19-8-6-12-35-19/h5-14,21H,4,15-16H2,1-3H3/t21-,26+,27-/m1/s1

InChI Key

KYHUTAUWXBXOGM-COFKYPDJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.951

Distribution Coefficient, logD

3.570

Water Solubility, LogSw

-3.81

Polar Surface Area

58.931

Acid Dissociation Constant (pKa)

17.66

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

33.30

8019-0387 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0387?
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What is the minimum amount of 8019-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0387
  • 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 8019-0387 available by request