8014-1729 Screening compound: N-benzyl-2-(4H-1,2,4-triazol-3-yl)acetamide

8014-1729 Screening compound: N-benzyl-2-(4H-1,2,4-triazol-3-yl)acetamide
8014-1729 Screening compound: N-benzyl-2-(4H-1,2,4-triazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1729
N-benzyl-2-(4H-1,2,4-triazol-3-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

8014-1729

Molecular Formula

C11H12N4O (C11 H12 N4 O)

Compound Name

N-benzyl-2-(4H-1,2,4-triazol-3-yl)acetamide

IUPAC name

N-benzyl-2-(4H-124-triazol-3-yl)acetamide

SMILES

O=C(Cc1nnc[nH]1)NCc1ccccc1

InChI

InChI=1S/C11H12N4O/c16-11(6-10-13-8-14-15-10)12-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)

InChI Key

WKGQNPJOGAASOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.127

Distribution Coefficient, logD

0.122

Water Solubility, LogSw

-1.59

Polar Surface Area

61.132

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8014-1729 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 8014-1729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1729?
Check Price and Availability of 8014-1729, 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 8014-1729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1729
  • 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 8014-1729 available by request