6258-0555 Screening compound: N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

6258-0555 Screening compound: N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide
6258-0555 Screening compound: N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6258-0555
N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

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

6258-0555

Molecular Formula

C23H23N3O2S2 (C23 H23 N3 O2 S2)

Compound Name

N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

IUPAC name

(3R5S7s)-N-[(5E)-5-[(1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]adamantane-1-carboxamide

SMILES

O=C(C1(C[C@H](C2)C3)C[C@H]3C[C@H]2C1)NN(C(/C(/S1)=C\c2c[nH]c3c2cccc3)=O)C1=S

InChI

InChI=1S/C23H23N3O2S2/c27-20-19(8-16-12-24-18-4-2-1-3-17(16)18)30-22(29)26(20)25-21(28)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,12-15,24H,5-7,9-11H2,(H,25,28)

InChI Key

DAODIKBJVCMPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04087351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-5.47

Polar Surface Area

52.748

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-13.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

6258-0555 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6258-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6258-0555?
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What is the minimum amount of 6258-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6258-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6258-0555
  • 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 6258-0555 available by request