3288-0560 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

3288-0560 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
3288-0560 Screening compound: (5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3288-0560
(5E)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-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

3288-0560

Molecular Formula

C25H29N3O2S (C25 H29 N3 O2 S)

Compound Name

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

IUPAC name

(5E)-5-[(1-cyclohexyl-25-dimethyl-1H-pyrrol-3-yl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2c(C)n(C3CCCCC3)c(C)c2)=O)C1=S

InChI

InChI=1S/C25H29N3O2S/c1-4-18-10-12-21(13-11-18)28-24(30)22(23(29)26-25(28)31)15-19-14-16(2)27(17(19)3)20-8-6-5-7-9-20/h10-15,20H,4-9H2,1-3H3,(H,26,29,31)

InChI Key

OABKDYLLAMSCTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

4.650

Water Solubility, LogSw

-4.46

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

40.00

3288-0560 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3288-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3288-0560?
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What is the minimum amount of 3288-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3288-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3288-0560
  • 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 3288-0560 available by request