0977-3421 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(4-phenoxyphenyl)methanimine

0977-3421 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(4-phenoxyphenyl)methanimine
0977-3421 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(4-phenoxyphenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0977-3421
(E)-N-[4-(adamantan-1-yl)phenyl]-1-(4-phenoxyphenyl)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

0977-3421

Molecular Formula

C29H29NO (C29 H29 NO)

Compound Name

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

IUPAC name

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

SMILES

C(C(CC(C1)C2)C3)C1CC23c(cc1)ccc1/N=C/c(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C29H29NO/c1-2-4-27(5-3-1)31-28-12-6-21(7-13-28)20-30-26-10-8-25(9-11-26)29-17-22-14-23(18-29)16-24(15-22)19-29/h1-13,20,22-24H,14-19H2

InChI Key

VEJVLGAJFJAYIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.096

Distribution Coefficient, logD

8.095

Water Solubility, LogSw

-6.54

Polar Surface Area

14.875

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

0977-3421 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0977-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0977-3421?
Check Price and Availability of 0977-3421, 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 0977-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0977-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0977-3421
  • 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 0977-3421 available by request