3617-1879 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide

3617-1879 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide
3617-1879 Screening compound: N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-1879
N-[2-(4-chlorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3-methylbenzamide

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

3617-1879

Molecular Formula

C21H17ClN4O (C21 H17 ClN4 O)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)-6-methyl-2H-123-benzotriazol-5-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2cc3nn(-c(cc4)ccc4Cl)nc3cc2C)=O)c1

InChI

InChI=1S/C21H17ClN4O/c1-13-4-3-5-15(10-13)21(27)23-18-12-20-19(11-14(18)2)24-26(25-20)17-8-6-16(22)7-9-17/h3-12H,1-2H3,(H,23,27)

InChI Key

FVCUQILHBKPQSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02218449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-5.63

Polar Surface Area

46.666

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3617-1879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-1879?
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What is the minimum amount of 3617-1879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-1879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-1879
  • 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 3617-1879 available by request