8019-1875 Screening compound: 5-ethoxy-1,1'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(3,4,5-trimethoxyphenyl)-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione

8019-1875 Screening compound: 5-ethoxy-1,1'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(3,4,5-trimethoxyphenyl)-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione
8019-1875 Screening compound: 5-ethoxy-1,1'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(3,4,5-trimethoxyphenyl)-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1875
5-ethoxy-1,1'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(3,4,5-trimethoxyphenyl)-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

8019-1875

Molecular Formula

C29H33N3O6S2 (C29 H33 N3 O6 S2)

Compound Name

5-ethoxy-1,1'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(3,4,5-trimethoxyphenyl)-1,2-dihydrodispiro[indole-3,2'-pyrrolidine-3',2''-[1,4]thiazolidine]-2,3''-dione

IUPAC name

(3R3'R4'R)-5-ethoxy-11'-dimethyl-4''-(prop-2-en-1-yl)-5''-sulfanylidene-4'-(345-trimethoxyphenyl)-12-dihydrodispiro[indole-32'-pyrrolidine-3'2''-[14]thiazolidine]-23''-dione

SMILES

CCOc(cc1)cc([C@]2([C@@]3(C(N4CC=C)=O)SC4=S)N(C)C[C@@H]3c(cc3OC)cc(OC)c3OC)c1N(C)C2=O

InChI

InChI=1S/C29H33N3O6S2/c1-8-12-32-26(34)29(40-27(32)39)20(17-13-22(35-5)24(37-7)23(14-17)36-6)16-30(3)28(29)19-15-18(38-9-2)10-11-21(19)31(4)25(28)33/h8,10-11,13-15,20H,1,9,12,16H2,2-7H3/t20-,28+,29-/m1/s1

InChI Key

LBCRDIKURWARII-IEXUNWISSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.396

Water Solubility, LogSw

-4.45

Polar Surface Area

64.893

Acid Dissociation Constant (pKa)

20.52

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

41.40

8019-1875 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-1875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1875?
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What is the minimum amount of 8019-1875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1875
  • 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 8019-1875 available by request