3541-0277 Screening compound: 1,3-dimethyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3541-0277 Screening compound: 1,3-dimethyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3541-0277 Screening compound: 1,3-dimethyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-0277
1,3-dimethyl-5-{[5-(3-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

3541-0277

Molecular Formula

C17H13N3O6 (C17 H13 N3 O6)

Compound Name

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

IUPAC name

13-dimethyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc2ccc(-c3cccc([N+]([O-])=O)c3)o2)=O)C1=O

InChI

InChI=1S/C17H13N3O6/c1-18-15(21)13(16(22)19(2)17(18)23)9-12-6-7-14(26-12)10-4-3-5-11(8-10)20(24)25/h3-9H,1-2H3

InChI Key

CFKODRZYEBEQLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-3.10

Polar Surface Area

86.077

Acid Dissociation Constant (pKa)

32.75

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 3541-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-0277?
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What is the minimum amount of 3541-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-0277
  • 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 3541-0277 available by request