3528-1211 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pentanamide

3528-1211 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pentanamide
3528-1211 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3528-1211
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]pentanamide

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

3528-1211

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

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

IUPAC name

N-[2-(4-methoxyphenyl)-6-methyl-2H-123-benzotriazol-5-yl]pentanamide

SMILES

CCCCC(Nc1cc2nn(-c(cc3)ccc3OC)nc2cc1C)=O

InChI

InChI=1S/C19H22N4O2/c1-4-5-6-19(24)20-16-12-18-17(11-13(16)2)21-23(22-18)14-7-9-15(25-3)10-8-14/h7-12H,4-6H2,1-3H3,(H,20,24)

InChI Key

BHSSPHZDHLPGMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02577060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.86

Polar Surface Area

54.268

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3528-1211 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3528-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3528-1211?
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What is the minimum amount of 3528-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3528-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3528-1211
  • 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 3528-1211 available by request