0831-0759 Screening compound: (E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine

0831-0759 Screening compound: (E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine
0831-0759 Screening compound: (E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0759
(E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine

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

0831-0759

Molecular Formula

C22H29NO2 (C22 H29 NO2)

Compound Name

(E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine

IUPAC name

(E)-N-[(4-methylphenyl)[4-(octyloxy)phenyl]methylidene]hydroxylamine

SMILES

CCCCCCCCOc(cc1)ccc1/C(/c1ccc(C)cc1)=N/O

InChI

InChI=1S/C22H29NO2/c1-3-4-5-6-7-8-17-25-21-15-13-20(14-16-21)22(23-24)19-11-9-18(2)10-12-19/h9-16,24H,3-8,17H2,1-2H3

InChI Key

XYNZTMYCGJAYIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00623910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.908

Distribution Coefficient, logD

6.908

Water Solubility, LogSw

-5.79

Polar Surface Area

36.808

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

0831-0759 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0831-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0759?
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What is the minimum amount of 0831-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0759
  • 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 0831-0759 available by request