3966-1261 Screening compound: (E)-{2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}(phenylmethylidene)amine

3966-1261 Screening compound: (E)-{2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}(phenylmethylidene)amine
3966-1261 Screening compound: (E)-{2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}(phenylmethylidene)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1261
(E)-{2-[4-(2-methoxyphenyl)-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

3966-1261

Molecular Formula

C23H29NO2 (C23 H29 NO2)

Compound Name

(E)-{2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl}(phenylmethylidene)amine

IUPAC name

(E)-{2-[4-(2-methoxyphenyl)-22-dimethyloxan-4-yl]ethyl}(phenylmethylidene)amine

SMILES

CC(C)(C1)OCCC1(CC/N=C/c1ccccc1)c(cccc1)c1OC

InChI

InChI=1S/C23H29NO2/c1-22(2)18-23(14-16-26-22,20-11-7-8-12-21(20)25-3)13-15-24-17-19-9-5-4-6-10-19/h4-12,17H,13-16,18H2,1-3H3/t23-/m0/s1

InChI Key

OHMZOEVPWWALIC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02763712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.69

Polar Surface Area

23.492

Acid Dissociation Constant (pKa)

26.92

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

3966-1261 in Drug Discovery

Included in Screening Libraries

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 3966-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1261?
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What is the minimum amount of 3966-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1261
  • 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 3966-1261 available by request