0588-0238 Screening compound: ethyl (2Z)-2-[(3-nitro-1,1'-biphenyl-4-yl)hydrazono]-3-oxobutanoate

0588-0238 Screening compound: ethyl (2Z)-2-[(3-nitro-1,1'-biphenyl-4-yl)hydrazono]-3-oxobutanoate
0588-0238 Screening compound: ethyl (2Z)-2-[(3-nitro-1,1'-biphenyl-4-yl)hydrazono]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0588-0238
ethyl (2Z)-2-[(3-nitro-1,1'-biphenyl-4-yl)hydrazono]-3-oxobutanoate

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

0588-0238

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

ethyl (2Z)-2-[(3-nitro-1,1'-biphenyl-4-yl)hydrazono]-3-oxobutanoate

IUPAC name

ethyl (2Z)-2-(2-{3-nitro-[11'-biphenyl]-4-yl}hydrazin-1-ylidene)-3-oxobutanoate

SMILES

CCOC(/C(/C(C)=O)=N\Nc(ccc(-c1ccccc1)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H17N3O5/c1-3-26-18(23)17(12(2)22)20-19-15-10-9-14(11-16(15)21(24)25)13-7-5-4-6-8-13/h4-11,19H,3H2,1-2H3

InChI Key

LBKDMLYEAHUNBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00365511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-4.70

Polar Surface Area

87.857

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 0588-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0588-0238?
Check Price and Availability of 0588-0238, 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 0588-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0588-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0588-0238
  • 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 0588-0238 available by request