6855-0232 Screening compound: N-benzyl-3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

6855-0232 Screening compound: N-benzyl-3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine
6855-0232 Screening compound: N-benzyl-3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6855-0232
N-benzyl-3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

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

6855-0232

Molecular Formula

C24H21ClN4O3 (C24 H21 ClN4 O3)

Compound Name

N-benzyl-3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-benzyl-3-(4-chlorophenyl)-1-(34-dimethoxybenzoyl)-1H-124-triazol-5-amine

SMILES

COc(ccc(C(n1nc(-c(cc2)ccc2Cl)nc1NCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C24H21ClN4O3/c1-31-20-13-10-18(14-21(20)32-2)23(30)29-24(26-15-16-6-4-3-5-7-16)27-22(28-29)17-8-11-19(25)12-9-17/h3-14H,15H2,1-2H3,(H,26,27,28)

InChI Key

KYGZNHZPICMWLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10472217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.622

Distribution Coefficient, logD

4.622

Water Solubility, LogSw

-4.93

Polar Surface Area

64.488

Acid Dissociation Constant (pKa)

17.18

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6855-0232 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6855-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6855-0232?
Check Price and Availability of 6855-0232, 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 6855-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6855-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6855-0232
  • 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 6855-0232 available by request