3553-2391 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide

3553-2391 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide
3553-2391 Screening compound: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2391
3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide

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

3553-2391

Molecular Formula

C21H17ClN4O2 (C21 H17 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)ccc3OC)nc2cc1NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C21H17ClN4O2/c1-13-10-19-20(25-26(24-19)16-6-8-17(28-2)9-7-16)12-18(13)23-21(27)14-4-3-5-15(22)11-14/h3-12H,1-2H3,(H,23,27)

InChI Key

LMXCJRDGMQVUMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.89

Polar Surface Area

54.210

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 3553-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2391?
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What is the minimum amount of 3553-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2391
  • 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 3553-2391 available by request