3553-2046 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide

3553-2046 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
3553-2046 Screening compound: N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-2046
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-2-(4-nitrophenoxy)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

3553-2046

Molecular Formula

C22H19N5O5 (C22 H19 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)ccc3OC)nc2cc1NC(COc(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C22H19N5O5/c1-14-11-20-21(25-26(24-20)15-3-7-17(31-2)8-4-15)12-19(14)23-22(28)13-32-18-9-5-16(6-10-18)27(29)30/h3-12H,13H2,1-2H3,(H,23,28)

InChI Key

LIZRUJPNPOJRHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02220037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.13

Polar Surface Area

94.877

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with 3553-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-2046?
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What is the minimum amount of 3553-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-2046
  • 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 3553-2046 available by request