E897-0412 Screening compound: 2-[3'-(3-chlorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

E897-0412 Screening compound: 2-[3'-(3-chlorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide
E897-0412 Screening compound: 2-[3'-(3-chlorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E897-0412
2-[3'-(3-chlorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

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

E897-0412

Molecular Formula

C25H20ClN3O4S (C25 H20 ClN3 O4 S)

Compound Name

2-[3'-(3-chlorophenyl)-2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

IUPAC name

2-[3'-(3-chlorophenyl)-24'-dioxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-1-yl]-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(CN(C(C1(N2c3cccc(Cl)c3)SCC2=O)=O)c2c1cccc2)=O

InChI

InChI=1S/C25H20ClN3O4S/c1-33-21-12-5-3-10-19(21)27-22(30)14-28-20-11-4-2-9-18(20)25(24(28)32)29(23(31)15-34-25)17-8-6-7-16(26)13-17/h2-13H,14-15H2,1H3,(H,27,30)/t25-/m0/s1

InChI Key

DXLREENXPPGVFM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14926264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.35

Polar Surface Area

61.118

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

E897-0412 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E897-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E897-0412?
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What is the minimum amount of E897-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E897-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E897-0412
  • 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 E897-0412 available by request