D432-0169 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

D432-0169 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
D432-0169 Screening compound: 2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0169
2-({4-benzyl-5-[(3-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

D432-0169

Molecular Formula

C18H17BrN4O2S (C18 H17 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

NC(CSc1nnc(COc2cccc(Br)c2)n1Cc1ccccc1)=O

InChI

InChI=1S/C18H17BrN4O2S/c19-14-7-4-8-15(9-14)25-11-17-21-22-18(26-12-16(20)24)23(17)10-13-5-2-1-3-6-13/h1-9H,10-12H2,(H2,20,24)

InChI Key

CYRGSEPVORIGCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

3.017

Water Solubility, LogSw

-3.26

Polar Surface Area

66.104

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with D432-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0169?
Check Price and Availability of D432-0169, 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 D432-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0169
  • 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 D432-0169 available by request