D524-2211 Screening compound: 4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide

D524-2211 Screening compound: 4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide
D524-2211 Screening compound: 4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D524-2211
4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-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

D524-2211

Molecular Formula

C18H16FN5O3 (C18 H16 FN5 O3)

Compound Name

4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-1,2,4-triazol-3-yl)benzamide

IUPAC name

4-fluoro-N-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-1H-124-triazol-3-yl)benzamide

SMILES

COc1cccc(NC(Cn2nc(NC(c(cc3)ccc3F)=O)nc2)=O)c1

InChI

InChI=1S/C18H16FN5O3/c1-27-15-4-2-3-14(9-15)21-16(25)10-24-11-20-18(23-24)22-17(26)12-5-7-13(19)8-6-12/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,26)

InChI Key

MWBYYMGTUJOQMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

1.868

Water Solubility, LogSw

-2.98

Polar Surface Area

79.244

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D524-2211 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D524-2211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D524-2211?
Check Price and Availability of D524-2211, 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 D524-2211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D524-2211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D524-2211
  • 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 D524-2211 available by request