8013-2435 Screening compound: 4-{2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-3'-yl}-N-ethylbenzamide

8013-2435 Screening compound: 4-{2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-3'-yl}-N-ethylbenzamide
8013-2435 Screening compound: 4-{2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-3'-yl}-N-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2435
4-{2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-3'-yl}-N-ethylbenzamide

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

8013-2435

Molecular Formula

C19H17N3O3S (C19 H17 N3 O3 S)

Compound Name

4-{2,4'-dioxo-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidin]-3'-yl}-N-ethylbenzamide

IUPAC name

4-{24'-dioxo-12-dihydrospiro[indole-32'-[13]thiazolidin]-3'-yl}-N-ethylbenzamide

SMILES

CCNC(c(cc1)ccc1N(C(c(cccc1)c1N1)(C1=O)SC1)C1=O)=O

InChI

InChI=1S/C19H17N3O3S/c1-2-20-17(24)12-7-9-13(10-8-12)22-16(23)11-26-19(22)14-5-3-4-6-15(14)21-18(19)25/h3-10H,2,11H2,1H3,(H,20,24)(H,21,25)/t19-/m0/s1

InChI Key

XPXXGGKOODUDAW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03763946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.656

Distribution Coefficient, logD

1.656

Water Solubility, LogSw

-2.68

Polar Surface Area

65.121

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

8013-2435 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8013-2435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2435?
Check Price and Availability of 8013-2435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-2435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2435
  • 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 8013-2435 available by request