0335-0876 Screening compound: 2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol

0335-0876 Screening compound: 2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol
0335-0876 Screening compound: 2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0335-0876
2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol

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

0335-0876

Molecular Formula

C24H26BrNO (C24 H26 BrNO)

Compound Name

2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol

IUPAC name

2-[(E)-({4-[(adamantan-1-yl)methyl]phenyl}imino)methyl]-4-bromophenol

SMILES

Oc(cc1)c(/C=N/c2ccc(CC3(CC(C4)C5)CC5CC4C3)cc2)cc1Br

InChI

InChI=1S/C24H26BrNO/c25-21-3-6-23(27)20(10-21)15-26-22-4-1-16(2-5-22)11-24-12-17-7-18(13-24)9-19(8-17)14-24/h1-6,10,15,17-19,27H,7-9,11-14H2

InChI Key

GZHBNBLEZFDNRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.079

Distribution Coefficient, logD

7.016

Water Solubility, LogSw

-6.04

Polar Surface Area

24.676

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

0335-0876 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0335-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0335-0876?
Check Price and Availability of 0335-0876, 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 0335-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0335-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0335-0876
  • 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 0335-0876 available by request