3229-2230 Screening compound: (5Z)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

3229-2230 Screening compound: (5Z)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
3229-2230 Screening compound: (5Z)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2230
(5Z)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-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

3229-2230

Molecular Formula

C19H15N3O6 (C19 H15 N3 O6)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-13-diazinane-246-trione

SMILES

Cc(ccc(-c1ccc(/C=C(/C(NC(N2CC=C)=O)=O)\C2=O)o1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C19H15N3O6/c1-3-8-21-18(24)14(17(23)20-19(21)25)10-13-6-7-16(28-13)12-5-4-11(2)15(9-12)22(26)27/h3-7,9-10H,1,8H2,2H3,(H,20,23,25)

InChI Key

OPVLDCUOBCPPGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.180

Water Solubility, LogSw

-3.50

Polar Surface Area

94.903

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-7.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 3229-2230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2230?
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What is the minimum amount of 3229-2230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2230
  • 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 3229-2230 available by request