3617-0604 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]acetamide

3617-0604 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]acetamide
3617-0604 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-0604
N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]acetamide

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

3617-0604

Molecular Formula

C15H13ClN4O (C15 H13 ClN4 O)

Compound Name

N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]acetamide

IUPAC name

N-[2-(4-chlorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]acetamide

SMILES

CC(Nc1cc2nn(-c(cc3)ccc3Cl)nc2cc1C)=O

InChI

InChI=1S/C15H13ClN4O/c1-9-7-14-15(8-13(9)17-10(2)21)19-20(18-14)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,21)

InChI Key

DWTVINGFDMOGBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.801

Distribution Coefficient, logD

2.801

Water Solubility, LogSw

-3.42

Polar Surface Area

46.837

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

3617-0604 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3617-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-0604?
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What is the minimum amount of 3617-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-0604
  • 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 3617-0604 available by request