3288-0655 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

3288-0655 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
3288-0655 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0655
(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-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

3288-0655

Molecular Formula

C23H25N3O2S (C23 H25 N3 O2 S)

Compound Name

(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-5-[(1-cyclohexyl-25-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(/C=C(\C(NC(N2c3ccccc3)=S)=O)/C2=O)c(C)n1C1CCCCC1

InChI

InChI=1S/C23H25N3O2S/c1-15-13-17(16(2)25(15)18-9-5-3-6-10-18)14-20-21(27)24-23(29)26(22(20)28)19-11-7-4-8-12-19/h4,7-8,11-14,18H,3,5-6,9-10H2,1-2H3,(H,24,27,29)

InChI Key

MLIQZRDQXODBTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.92

Polar Surface Area

42.726

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

3288-0655 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3288-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0655?
Check Price and Availability of 3288-0655, 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 3288-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0655
  • 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 3288-0655 available by request