0417-1638 Screening compound: (E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]phenyl}methanimine

0417-1638 Screening compound: (E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]phenyl}methanimine
0417-1638 Screening compound: (E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]phenyl}methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0417-1638
(E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]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

0417-1638

Molecular Formula

C30H39NO (C30 H39 NO)

Compound Name

(E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]phenyl}methanimine

IUPAC name

(E)-N-[4-(adamantan-1-yl)-2-methylphenyl]-1-{4-[(4-methylpentyl)oxy]phenyl}methanimine

SMILES

CC(C)CCCOc1ccc(/C=N/c2c(C)cc(C3(CC(C4)C5)CC5CC4C3)cc2)cc1

InChI

InChI=1S/C30H39NO/c1-21(2)5-4-12-32-28-9-6-23(7-10-28)20-31-29-11-8-27(13-22(29)3)30-17-24-14-25(18-30)16-26(15-24)19-30/h6-11,13,20-21,24-26H,4-5,12,14-19H2,1-3H3

InChI Key

NLUAOFURCOUWCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.65

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.164

Distribution Coefficient, logD

9.162

Water Solubility, LogSw

-5.79

Polar Surface Area

14.848

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.70

0417-1638 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0417-1638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0417-1638?
Check Price and Availability of 0417-1638, 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 0417-1638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0417-1638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0417-1638
  • 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 0417-1638 available by request