D432-0012 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

D432-0012 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
D432-0012 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0012
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

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

D432-0012

Molecular Formula

C18H18BrN3O2S (C18 H18 BrN3 O2 S)

Compound Name

2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol

IUPAC name

2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-124-triazol-3-yl}sulfanyl)ethan-1-ol

SMILES

OCCSc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1

InChI

InChI=1S/C18H18BrN3O2S/c19-15-7-4-8-16(11-15)24-13-17-20-21-18(25-10-9-23)22(17)12-14-5-2-1-3-6-14/h1-8,11,23H,9-10,12-13H2

InChI Key

BRSRRKCZMPLYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.47

Polar Surface Area

49.372

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D432-0012 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Immunological Library (6760 compounds)

Antibacterial Compounds Library (13827 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D432-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0012?
Check Price and Availability of D432-0012, 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 D432-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0012
  • 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 D432-0012 available by request