D432-0182 Screening compound: 2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

D432-0182 Screening compound: 2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
D432-0182 Screening compound: 2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0182
2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

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

D432-0182

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

IUPAC name

2-({4-benzyl-5-[(4-propoxyphenyl)methyl]-4H-124-triazol-3-yl}sulfanyl)acetic acid

SMILES

CCCOc1ccc(Cc(n2Cc3ccccc3)nnc2SCC(O)=O)cc1

InChI

InChI=1S/C21H23N3O3S/c1-2-12-27-18-10-8-16(9-11-18)13-19-22-23-21(28-15-20(25)26)24(19)14-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,25,26)

InChI Key

DUFOOEOXRJJEBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

0.383

Water Solubility, LogSw

-3.71

Polar Surface Area

61.019

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D432-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0182?
Check Price and Availability of D432-0182, 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 D432-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0182
  • 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 D432-0182 available by request