3178-0156 Screening compound: 2,2-dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione

3178-0156 Screening compound: 2,2-dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
3178-0156 Screening compound: 2,2-dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3178-0156
2,2-dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione

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

3178-0156

Molecular Formula

C17H13NO7 (C17 H13 NO7)

Compound Name

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

IUPAC name

22-dimethyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-13-dioxane-46-dione

SMILES

CC(C)(OC(C1=Cc2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)=O)OC1=O

InChI

InChI=1S/C17H13NO7/c1-17(2)24-15(19)13(16(20)25-17)9-12-7-8-14(23-12)10-3-5-11(6-4-10)18(21)22/h3-9H,1-2H3

InChI Key

ZXJSUSMCNDMRCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.488

Distribution Coefficient, logD

3.488

Water Solubility, LogSw

-3.78

Polar Surface Area

82.396

Acid Dissociation Constant (pKa)

30.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 3178-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3178-0156?
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What is the minimum amount of 3178-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3178-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3178-0156
  • 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 3178-0156 available by request