8016-5198 Screening compound: 2-chloro-N~1~-cyclopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide

8016-5198 Screening compound: 2-chloro-N~1~-cyclopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
8016-5198 Screening compound: 2-chloro-N~1~-cyclopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5198
2-chloro-N~1~-cyclopropyl-5-(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

8016-5198

Molecular Formula

C12H11ClN4O (C12 H11 ClN4 O)

Compound Name

2-chloro-N~1~-cyclopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide

IUPAC name

2-chloro-N-cyclopropyl-5-(4H-124-triazol-4-yl)benzamide

SMILES

O=C(c(cc(cc1)-n2cnnc2)c1Cl)NC1CC1

InChI

InChI=1S/C12H11ClN4O/c13-11-4-3-9(17-6-14-15-7-17)5-10(11)12(18)16-8-1-2-8/h3-8H,1-2H2,(H,16,18)

InChI Key

UQHBJCYPMVWYKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05740225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.539

Water Solubility, LogSw

-3.03

Polar Surface Area

50.740

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8016-5198 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-5198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5198?
Check Price and Availability of 8016-5198, 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 8016-5198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5198
  • 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 8016-5198 available by request