0336-0086 Screening compound: (E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine

0336-0086 Screening compound: (E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine
0336-0086 Screening compound: (E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0336-0086
(E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine

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

0336-0086

Molecular Formula

C26H28Br2N2 (C26 H28 Br2 N2)

Compound Name

(E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine

IUPAC name

(E)-[(4-bromophenyl)methylidene][(3-{[(Z)-[(4-bromophenyl)methylidene]amino]methyl}adamantan-1-yl)methyl]amine

SMILES

Brc1ccc(/C=N/CC2(CC(C3)C4)CC4(C/N=C\c(cc4)ccc4Br)CC3C2)cc1

InChI

InChI=1S/C26H28Br2N2/c27-23-5-1-19(2-6-23)14-29-17-25-10-21-9-22(11-25)13-26(12-21,16-25)18-30-15-20-3-7-24(28)8-4-20/h1-8,14-15,21-22H,9-13,16-18H2

InChI Key

JNEOYAFNPOAWAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.925

Distribution Coefficient, logD

7.923

Water Solubility, LogSw

-6.38

Polar Surface Area

17.596

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0336-0086 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 0336-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0336-0086?
Check Price and Availability of 0336-0086, 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 0336-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0336-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0336-0086
  • 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 0336-0086 available by request