3958-3805 Screening compound: 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)-N~1~-phenylacetamide

3958-3805 Screening compound: 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)-N~1~-phenylacetamide
3958-3805 Screening compound: 2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3958-3805
2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)-N~1~-phenylacetamide

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

3958-3805

Molecular Formula

C26H18N4O2S (C26 H18 N4 O2 S)

Compound Name

2-(3-{[3-oxo[1,3]thiazolo[3,2-a][1,3]benzimidazol-2(3H)-yliden]methyl}-1H-indol-1-yl)-N~1~-phenylacetamide

IUPAC name

2-(3-{[(4E)-3-oxo-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)6810-tetraen-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

SMILES

O=C(Cn1c(cccc2)c2c(/C=C2/Sc3nc(cccc4)c4n3C2=O)c1)Nc1ccccc1

InChI

InChI=1S/C26H18N4O2S/c31-24(27-18-8-2-1-3-9-18)16-29-15-17(19-10-4-6-12-21(19)29)14-23-25(32)30-22-13-7-5-11-20(22)28-26(30)33-23/h1-15H,16H2,(H,27,31)

InChI Key

FJEVOYQCEAMRQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02194367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.69

Polar Surface Area

49.334

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

3958-3805 in Drug Discovery

Included in Screening Libraries

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

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 3958-3805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3958-3805?
Check Price and Availability of 3958-3805, 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 3958-3805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3958-3805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3958-3805
  • 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 3958-3805 available by request