0335-0849 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(3-nitrophenyl)methanimine

0335-0849 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(3-nitrophenyl)methanimine
0335-0849 Screening compound: (E)-N-[4-(adamantan-1-yl)phenyl]-1-(3-nitrophenyl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0335-0849
(E)-N-[4-(adamantan-1-yl)phenyl]-1-(3-nitrophenyl)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

0335-0849

Molecular Formula

C23H24N2O2 (C23 H24 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(/C=N/c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)ccc1)=O

InChI

InChI=1S/C23H24N2O2/c26-25(27)22-3-1-2-16(11-22)15-24-21-6-4-20(5-7-21)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-7,11,15,17-19H,8-10,12-14H2

InChI Key

KNBKVKYQCZKINX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-6.34

Polar Surface Area

41.509

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

0335-0849 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0335-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0335-0849?
Check Price and Availability of 0335-0849, 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 0335-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0335-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0335-0849
  • 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 0335-0849 available by request