3966-1260 Screening compound: 2-[(E)-({2-[4-(2-METHOXYPHENYL)-2,2-DIMETHYLOXAN-4-YL]ETHYL}IMINO)METHYL]PHENOL

3966-1260 Screening compound: 2-[(E)-({2-[4-(2-METHOXYPHENYL)-2,2-DIMETHYLOXAN-4-YL]ETHYL}IMINO)METHYL]PHENOL
3966-1260 Screening compound: 2-[(E)-({2-[4-(2-METHOXYPHENYL)-2,2-DIMETHYLOXAN-4-YL]ETHYL}IMINO)METHYL]PHENOL alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-1260
2-[(E)-({2-[4-(2-METHOXYPHENYL)-2,2-DIMETHYLOXAN-4-YL]ETHYL}IMINO)METHYL]PHENOL

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

3966-1260

Molecular Formula

C23H29NO3 (C23 H29 NO3)

Compound Name

2-[(E)-({2-[4-(2-METHOXYPHENYL)-2,2-DIMETHYLOXAN-4-YL]ETHYL}IMINO)METHYL]PHENOL

IUPAC name

n/a

SMILES

CC(C)(C1)OCCC1(CC/N=C/c(cccc1)c1O)c(cccc1)c1OC

InChI

InChI=1S/C23H29NO3/c1-22(2)17-23(13-15-27-22,19-9-5-7-11-21(19)26-3)12-14-24-16-18-8-4-6-10-20(18)25/h4-11,16,25H,12-15,17H2,1-3H3/t23-/m0/s1

InChI Key

BDHBVVUKGKQZDS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02763711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.007

Water Solubility, LogSw

-4.20

Polar Surface Area

40.040

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

3966-1260 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 3966-1260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-1260?
Check Price and Availability of 3966-1260, 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 3966-1260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-1260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-1260
  • 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 3966-1260 available by request