3553-1982 Screening compound: 4-(benzyloxy)-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide

3553-1982 Screening compound: 4-(benzyloxy)-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide
3553-1982 Screening compound: 4-(benzyloxy)-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3553-1982
4-(benzyloxy)-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

3553-1982

Molecular Formula

C28H24N4O3 (C28 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc2nn(-c(cc3)ccc3OC)nc2cc1NC(c(cc1)ccc1OCc1ccccc1)=O

InChI

InChI=1S/C28H24N4O3/c1-19-16-26-27(31-32(30-26)22-10-14-23(34-2)15-11-22)17-25(19)29-28(33)21-8-12-24(13-9-21)35-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,29,33)

InChI Key

HDFFECKAXKHPPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.561

Water Solubility, LogSw

-5.50

Polar Surface Area

61.437

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

3553-1982 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3553-1982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3553-1982?
Check Price and Availability of 3553-1982, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3553-1982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3553-1982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3553-1982
  • 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 3553-1982 available by request