2368-0067 Screening compound: (5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione

2368-0067 Screening compound: (5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
2368-0067 Screening compound: (5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0067
(5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(3,5-dimethylphenyl)-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

2368-0067

Molecular Formula

C23H16ClN3O6 (C23 H16 ClN3 O6)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(35-dimethylphenyl)-13-diazinane-246-trione

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C\c3ccc(-c(cc4)cc([N+]([O-])=O)c4Cl)o3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C23H16ClN3O6/c1-12-7-13(2)9-15(8-12)26-22(29)17(21(28)25-23(26)30)11-16-4-6-20(33-16)14-3-5-18(24)19(10-14)27(31)32/h3-11H,1-2H3,(H,25,28,30)

InChI Key

MCVREEXONQZWJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.85

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

4.734

Distribution Coefficient, logD

4.717

Water Solubility, LogSw

-4.99

Polar Surface Area

94.041

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 2368-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0067?
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What is the minimum amount of 2368-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0067
  • 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 2368-0067 available by request