4338-1170 Screening compound: (5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

4338-1170 Screening compound: (5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
4338-1170 Screening compound: (5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1170
(5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

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

4338-1170

Molecular Formula

C20H15N3O6 (C20 H15 N3 O6)

Compound Name

(5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

(5Z)-5-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-14-dimethyl-26-dioxo-1256-tetrahydropyridine-3-carbonitrile

SMILES

CC(/C(/C(N(C)C1=O)=O)=C/c2ccc(-c(cc3)cc([N+]([O-])=O)c3OC)o2)=C1C#N

InChI

InChI=1S/C20H15N3O6/c1-11-14(19(24)22(2)20(25)15(11)10-21)9-13-5-7-17(29-13)12-4-6-18(28-3)16(8-12)23(26)27/h4-9H,1-3H3

InChI Key

VHXSCTGFBVOGKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.381

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.66

Polar Surface Area

94.500

Acid Dissociation Constant (pKa)

31.58

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 4338-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-1170?
Check Price and Availability of 4338-1170, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4338-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1170
  • 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 4338-1170 available by request