1981-1452 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide

1981-1452 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide
1981-1452 Screening compound: N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1452
N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide

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

1981-1452

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N'-[(E)-{3-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide

IUPAC name

N'-[(E)-{3-[(13-benzoxazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]hexanehydrazide

SMILES

CCCCCC(N/N=C/c(cc1)cc(CSc2nc(cccc3)c3o2)c1OC)=O

InChI

InChI=1S/C22H25N3O3S/c1-3-4-5-10-21(26)25-23-14-16-11-12-19(27-2)17(13-16)15-29-22-24-18-8-6-7-9-20(18)28-22/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,25,26)

InChI Key

HYPSIRUAPUGKRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.523

Distribution Coefficient, logD

5.523

Water Solubility, LogSw

-5.24

Polar Surface Area

59.635

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 1981-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1981-1452?
Check Price and Availability of 1981-1452, 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 1981-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1452
  • 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 1981-1452 available by request