4694-0669 Screening compound: (E)-N-(3,5-dimethylphenyl)-1-[4-(thietan-3-yloxy)phenyl]methanimine

4694-0669 Screening compound: (E)-N-(3,5-dimethylphenyl)-1-[4-(thietan-3-yloxy)phenyl]methanimine
4694-0669 Screening compound: (E)-N-(3,5-dimethylphenyl)-1-[4-(thietan-3-yloxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4694-0669
(E)-N-(3,5-dimethylphenyl)-1-[4-(thietan-3-yloxy)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

4694-0669

Molecular Formula

C18H19NOS (C18 H19 NOS)

Compound Name

(E)-N-(3,5-dimethylphenyl)-1-[4-(thietan-3-yloxy)phenyl]methanimine

IUPAC name

(E)-N-(35-dimethylphenyl)-1-[4-(thietan-3-yloxy)phenyl]methanimine

SMILES

Cc1cc(/N=C/c(cc2)ccc2OC2CSC2)cc(C)c1

InChI

InChI=1S/C18H19NOS/c1-13-7-14(2)9-16(8-13)19-10-15-3-5-17(6-4-15)20-18-11-21-12-18/h3-10,18H,11-12H2,1-2H3

InChI Key

AHFDYHWNGLEMPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01167909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.37

Polar Surface Area

15.151

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 4694-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4694-0669?
Check Price and Availability of 4694-0669, 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 4694-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4694-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4694-0669
  • 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 4694-0669 available by request