8008-5739 Screening compound: (E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine

8008-5739 Screening compound: (E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine
8008-5739 Screening compound: (E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5739
(E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine

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

8008-5739

Molecular Formula

C30H31N3O3S (C30 H31 N3 O3 S)

Compound Name

(E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine

IUPAC name

(E)-1-[3-nitro-4-(quinolin-5-ylsulfanyl)phenyl]-N-[4-(octyloxy)phenyl]methanimine

SMILES

CCCCCCCCOc(cc1)ccc1/N=C/c(cc1)cc([N+]([O-])=O)c1Sc1cccc2ncccc12

InChI

InChI=1S/C30H31N3O3S/c1-2-3-4-5-6-7-20-36-25-16-14-24(15-17-25)32-22-23-13-18-30(28(21-23)33(34)35)37-29-12-8-11-27-26(29)10-9-19-31-27/h8-19,21-22H,2-7,20H2,1H3

InChI Key

PITCHTJKRRYKFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.287

Distribution Coefficient, logD

9.286

Water Solubility, LogSw

-5.98

Polar Surface Area

57.355

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 8008-5739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5739?
Check Price and Availability of 8008-5739, 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 8008-5739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5739
  • 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 8008-5739 available by request