E897-0121 Screening compound: 1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

E897-0121 Screening compound: 1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione
E897-0121 Screening compound: 1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0121
1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-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

E897-0121

Molecular Formula

C25H21ClN2O2S (C25 H21 ClN2 O2 S)

Compound Name

1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione

IUPAC name

1-[(4-chlorophenyl)methyl]-3'-(3-ethylphenyl)-12-dihydrospiro[indole-32'-[13]thiazolidine]-24'-dione

SMILES

CCc1cccc(N(C(c(cccc2)c2N2Cc(cc3)ccc3Cl)(C2=O)SC2)C2=O)c1

InChI

InChI=1S/C25H21ClN2O2S/c1-2-17-6-5-7-20(14-17)28-23(29)16-31-25(28)21-8-3-4-9-22(21)27(24(25)30)15-18-10-12-19(26)13-11-18/h3-14H,2,15-16H2,1H3/t25-/m0/s1

InChI Key

YBVRGQFBUQNCNF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14926029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.760

Distribution Coefficient, logD

5.760

Water Solubility, LogSw

-5.79

Polar Surface Area

31.036

Acid Dissociation Constant (pKa)

13.60

Base Dissociation Constant (pKb)

-5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E897-0121 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E897-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0121?
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What is the minimum amount of E897-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0121
  • 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 E897-0121 available by request