2154-0101 Screening compound: 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide

2154-0101 Screening compound: 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
2154-0101 Screening compound: 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0101
5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-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

2154-0101

Molecular Formula

C20H14BrClN4O2 (C20 H14 BrClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-n1nc(cc(cc2)NC(c(cc(cc3)Br)c3Cl)=O)c2n1

InChI

InChI=1S/C20H14BrClN4O2/c1-28-15-6-4-14(5-7-15)26-24-18-9-3-13(11-19(18)25-26)23-20(27)16-10-12(21)2-8-17(16)22/h2-11H,1H3,(H,23,27)

InChI Key

MKHYAGYONOVEHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.71

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

5.708

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-6.07

Polar Surface Area

54.908

Acid Dissociation Constant (pKa)

7.02

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 2154-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0101?
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What is the minimum amount of 2154-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0101
  • 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 2154-0101 available by request