D524-2218 Screening compound: N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide

D524-2218 Screening compound: N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
D524-2218 Screening compound: N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-2218
N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide

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

D524-2218

Molecular Formula

C18H15ClFN5O2 (C18 H15 ClFN5 O2)

Compound Name

N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide

IUPAC name

N-(1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-1H-124-triazol-3-yl)-4-fluorobenzamide

SMILES

Cc(ccc(NC(Cn1nc(NC(c(cc2)ccc2F)=O)nc1)=O)c1)c1Cl

InChI

InChI=1S/C18H15ClFN5O2/c1-11-2-7-14(8-15(11)19)22-16(26)9-25-10-21-18(24-25)23-17(27)12-3-5-13(20)6-4-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,27)

InChI Key

DNWIRGZDUYSEFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.192

Water Solubility, LogSw

-4.29

Polar Surface Area

71.701

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D524-2218 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D524-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-2218?
Check Price and Availability of D524-2218, 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 D524-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-2218
  • 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 D524-2218 available by request