Y500-0519 Screening compound: (Z)-1-(1H-1,3-benzimidazol-2-yl)-2-[2-(2,4-dinitrophenoxy)phenyl]-1-ethenyl cyanide

Y500-0519 Screening compound: (Z)-1-(1H-1,3-benzimidazol-2-yl)-2-[2-(2,4-dinitrophenoxy)phenyl]-1-ethenyl cyanide
Y500-0519 Screening compound: (Z)-1-(1H-1,3-benzimidazol-2-yl)-2-[2-(2,4-dinitrophenoxy)phenyl]-1-ethenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-0519
(Z)-1-(1H-1,3-benzimidazol-2-yl)-2-[2-(2,4-dinitrophenoxy)phenyl]-1-ethenyl cyanide

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

Y500-0519

Molecular Formula

C22H13N5O5 (C22 H13 N5 O5)

Compound Name

(Z)-1-(1H-1,3-benzimidazol-2-yl)-2-[2-(2,4-dinitrophenoxy)phenyl]-1-ethenyl cyanide

IUPAC name

(2Z)-2-(1H-13-benzodiazol-2-yl)-3-[2-(24-dinitrophenoxy)phenyl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1Oc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H13N5O5/c23-13-15(22-24-17-6-2-3-7-18(17)25-22)11-14-5-1-4-8-20(14)32-21-10-9-16(26(28)29)12-19(21)27(30)31/h1-12H,(H,24,25)

InChI Key

HZQOZOWIBXPISC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.691

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.92

Polar Surface Area

109.697

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with Y500-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-0519?
Check Price and Availability of Y500-0519, 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 Y500-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-0519
  • 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 Y500-0519 available by request