8015-0856 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

8015-0856 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
8015-0856 Screening compound: N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0856
N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

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

8015-0856

Molecular Formula

C11H11ClN4O3 (C11 H11 ClN4 O3)

Compound Name

N-(4-chloro-2,5-dimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-(4-chloro-25-dimethoxyphenyl)-1H-124-triazole-3-carboxamide

SMILES

COc(c(NC(c1n[nH]cn1)=O)c1)cc(Cl)c1OC

InChI

InChI=1S/C11H11ClN4O3/c1-18-8-4-7(9(19-2)3-6(8)12)15-11(17)10-13-5-14-16-10/h3-5H,1-2H3,(H,15,17)(H,13,14,16)

InChI Key

GRJKDPNJFNGLRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.226

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-2.56

Polar Surface Area

73.596

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8015-0856 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0856?
Check Price and Availability of 8015-0856, 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 8015-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0856
  • 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 8015-0856 available by request