J016-0739 Screening compound: 2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)acetamide

J016-0739 Screening compound: 2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)acetamide
J016-0739 Screening compound: 2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0739
2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)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

J016-0739

Molecular Formula

C20H21ClN4O2 (C20 H21 ClN4 O2)

Compound Name

2-[4-(butan-2-yl)-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)acetamide

IUPAC name

2-[4-(butan-2-yl)-2-(4H-124-triazol-4-yl)phenoxy]-N-(4-chlorophenyl)acetamide

SMILES

CCC(C)c(cc1)cc(-n2cnnc2)c1OCC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H21ClN4O2/c1-3-14(2)15-4-9-19(18(10-15)25-12-22-23-13-25)27-11-20(26)24-17-7-5-16(21)6-8-17/h4-10,12-14H,3,11H2,1-2H3,(H,24,26)/t14-/m0/s1

InChI Key

MXQYPFJCMSADHZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15078441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

4.392

Water Solubility, LogSw

-4.81

Polar Surface Area

56.433

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J016-0739 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J016-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0739?
Check Price and Availability of J016-0739, 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 J016-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0739
  • 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 J016-0739 available by request