D269-0089 Screening compound: 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

D269-0089 Screening compound: 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
D269-0089 Screening compound: 2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-0089
2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)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

D269-0089

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

2-(4-tert-butylphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

IUPAC name

2-(4-tert-butylphenoxy)-N-(3-phenyl-124-thiadiazol-5-yl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1OCC(Nc1nc(-c2ccccc2)ns1)=O

InChI

InChI=1S/C20H21N3O2S/c1-20(2,3)15-9-11-16(12-10-15)25-13-17(24)21-19-22-18(23-26-19)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,22,23,24)

InChI Key

GJAPQYRMONDCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.655

Distribution Coefficient, logD

5.655

Water Solubility, LogSw

-5.58

Polar Surface Area

51.203

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D269-0089 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D269-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-0089?
Check Price and Availability of D269-0089, 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 D269-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-0089
  • 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 D269-0089 available by request