7502-0130 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide

7502-0130 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide
7502-0130 Screening compound: 2-(4-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7502-0130
2-(4-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide

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

7502-0130

Molecular Formula

C12H13ClN4O2 (C12 H13 ClN4 O2)

Compound Name

2-(4-chlorophenoxy)-2-methyl-N-(4H-1,2,4-triazol-3-yl)propanamide

IUPAC name

2-(4-chlorophenoxy)-2-methyl-N-(4H-124-triazol-3-yl)propanamide

SMILES

CC(C)(C(Nc1nnc[nH]1)=O)Oc(cc1)ccc1Cl

InChI

InChI=1S/C12H13ClN4O2/c1-12(2,10(18)16-11-14-7-15-17-11)19-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H2,14,15,16,17,18)

InChI Key

SJIUJMKHDHFFLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03718224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.397

Distribution Coefficient, logD

1.345

Water Solubility, LogSw

-2.58

Polar Surface Area

66.387

Acid Dissociation Constant (pKa)

6.40

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7502-0130 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7502-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7502-0130?
Check Price and Availability of 7502-0130, 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 7502-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7502-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7502-0130
  • 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 7502-0130 available by request