H024-0195 Screening compound: 2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-1-carboxamide

H024-0195 Screening compound: 2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-1-carboxamide
H024-0195 Screening compound: 2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0195
2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-1-carboxamide

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

H024-0195

Molecular Formula

C21H16F3N5O (C21 H16 F3 N5 O)

Compound Name

2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole-1-carboxamide

IUPAC name

2-{[(pyridin-4-yl)methyl]amino}-N-[4-(trifluoromethyl)phenyl]-1H-13-benzodiazole-1-carboxamide

SMILES

O=C(Nc1ccc(C(F)(F)F)cc1)n1c(NCc2ccncc2)nc2c1cccc2

InChI

InChI=1S/C21H16F3N5O/c22-21(23,24)15-5-7-16(8-6-15)27-20(30)29-18-4-2-1-3-17(18)28-19(29)26-13-14-9-11-25-12-10-14/h1-12H,13H2,(H,26,28)(H,27,30)

InChI Key

SNPGMOQMWFMKGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.658

Water Solubility, LogSw

-3.96

Polar Surface Area

54.497

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

H024-0195 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with H024-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0195?
Check Price and Availability of H024-0195, 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 H024-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0195
  • 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 H024-0195 available by request