4241-3263 Screening compound: (5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

4241-3263 Screening compound: (5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
4241-3263 Screening compound: (5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4241-3263
(5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

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

4241-3263

Molecular Formula

C19H23N3O3 (C19 H23 N3 O3)

Compound Name

(5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-cyclohexyl-5-{[4-(dimethylamino)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CN(C)c1ccc(/C=C(/C(NC(N2C3CCCCC3)=O)=O)\C2=O)cc1

InChI

InChI=1S/C19H23N3O3/c1-21(2)14-10-8-13(9-11-14)12-16-17(23)20-19(25)22(18(16)24)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,20,23,25)

InChI Key

ISPSSQXYSNXBET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.150

Water Solubility, LogSw

-3.35

Polar Surface Area

56.029

Acid Dissociation Constant (pKa)

8.56

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

4241-3263 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4241-3263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4241-3263?
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What is the minimum amount of 4241-3263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4241-3263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4241-3263
  • 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 4241-3263 available by request