1601-0659 Screening compound: N-(4H-1,2,4-triazol-4-yl)benzamide

1601-0659 Screening compound: N-(4H-1,2,4-triazol-4-yl)benzamide
1601-0659 Screening compound: N-(4H-1,2,4-triazol-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1601-0659
N-(4H-1,2,4-triazol-4-yl)benzamide

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

1601-0659

Molecular Formula

C9H8N4O (C9 H8 N4 O)

Compound Name

N-(4H-1,2,4-triazol-4-yl)benzamide

IUPAC name

N-(4H-124-triazol-4-yl)benzamide

SMILES

O=C(c1ccccc1)Nn1cnnc1

InChI

InChI=1S/C9H8N4O/c14-9(8-4-2-1-3-5-8)12-13-6-10-11-7-13/h1-7H,(H,12,14)

InChI Key

QLANQXWHADSQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00229075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.106

Distribution Coefficient, logD

0.106

Water Solubility, LogSw

-1.63

Polar Surface Area

50.192

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1601-0659 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1601-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1601-0659?
Check Price and Availability of 1601-0659, 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 1601-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1601-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1601-0659
  • 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 1601-0659 available by request