3966-1238 Screening compound: (E)-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](phenylmethylidene)amine

3966-1238 Screening compound: (E)-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](phenylmethylidene)amine
3966-1238 Screening compound: (E)-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](phenylmethylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1238
(E)-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](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

3966-1238

Molecular Formula

C23H29NO (C23 H29 NO)

Compound Name

(E)-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl](phenylmethylidene)amine

IUPAC name

(E)-[2-(4-benzyl-22-dimethyloxan-4-yl)ethyl](phenylmethylidene)amine

SMILES

CC1(C)OCCC(CC/N=C/c2ccccc2)(Cc2ccccc2)C1

InChI

InChI=1S/C23H29NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,18H,13-17,19H2,1-2H3/t23-/m1/s1

InChI Key

LNVBUCUMDVWOPT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01949065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.49

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

5.238

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.25

Polar Surface Area

15.861

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

3966-1238 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 3966-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1238?
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What is the minimum amount of 3966-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1238
  • 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 3966-1238 available by request