2368-0061 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

2368-0061 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
2368-0061 Screening compound: (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0061
(5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]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

2368-0061

Molecular Formula

C23H17N3O6 (C23 H17 N3 O6)

Compound Name

(5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-1-(35-dimethylphenyl)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C\c3ccc(-c(cc4)ccc4[N+]([O-])=O)o3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C23H17N3O6/c1-13-9-14(2)11-17(10-13)25-22(28)19(21(27)24-23(25)29)12-18-7-8-20(32-18)15-3-5-16(6-4-15)26(30)31/h3-12H,1-2H3,(H,24,27,29)

InChI Key

BZFLILPDUCCHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.43

Polar Surface Area

94.342

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2368-0061 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 2368-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0061?
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What is the minimum amount of 2368-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0061
  • 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 2368-0061 available by request