3683-0544 Screening compound: (Z)-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine

3683-0544 Screening compound: (Z)-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine
3683-0544 Screening compound: (Z)-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0544
(Z)-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine

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

3683-0544

Molecular Formula

C23H28FNO (C23 H28 FNO)

Compound Name

(Z)-[3-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine

IUPAC name

(Z)-[3-(22-dimethyloxan-4-yl)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine

SMILES

CC(C)(C1)OCCC1C(CC/N=C\c1ccccc1)c(cc1)ccc1F

InChI

InChI=1S/C23H28FNO/c1-23(2)16-20(13-15-26-23)22(19-8-10-21(24)11-9-19)12-14-25-17-18-6-4-3-5-7-18/h3-11,17,20,22H,12-16H2,1-2H3

InChI Key

WDBMCHUCIZNYQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-5.46

Polar Surface Area

15.861

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

3683-0544 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3683-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0544?
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What is the minimum amount of 3683-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0544
  • 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 3683-0544 available by request