0417-1630 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)phenyl]methanimine

0417-1630 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)phenyl]methanimine
0417-1630 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)phenyl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0417-1630
(E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)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

0417-1630

Molecular Formula

C28H35NO (C28 H35 NO)

Compound Name

(E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)phenyl]methanimine

IUPAC name

(E)-N-[4-(adamantan-1-yl)phenyl]-1-[4-(3-methylbutoxy)phenyl]methanimine

SMILES

CC(C)CCOc1ccc(/C=N/c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)cc1

InChI

InChI=1S/C28H35NO/c1-20(2)11-12-30-27-9-3-21(4-10-27)19-29-26-7-5-25(6-8-26)28-16-22-13-23(17-28)15-24(14-22)18-28/h3-10,19-20,22-24H,11-18H2,1-2H3

InChI Key

DRDBYUFZTMNUGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.59

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.109

Distribution Coefficient, logD

8.107

Water Solubility, LogSw

-6.02

Polar Surface Area

15.545

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

0417-1630 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0417-1630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0417-1630?
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What is the minimum amount of 0417-1630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0417-1630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0417-1630
  • 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 0417-1630 available by request