D432-0130 Screening compound: 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

D432-0130 Screening compound: 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
D432-0130 Screening compound: 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D432-0130
2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-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

D432-0130

Molecular Formula

C17H14ClN3O3S (C17 H14 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CSc1nnc(COc(cc2)ccc2Cl)n1-c1ccccc1)=O

InChI

InChI=1S/C17H14ClN3O3S/c18-12-6-8-14(9-7-12)24-10-15-19-20-17(25-11-16(22)23)21(15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,22,23)

InChI Key

PLFYTBZBUVIOJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04036854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

-0.524

Water Solubility, LogSw

-3.12

Polar Surface Area

61.843

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D432-0130 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D432-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D432-0130?
Check Price and Availability of D432-0130, 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 D432-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D432-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D432-0130
  • 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 D432-0130 available by request