2322-1628 Screening compound: methyl 4-[(Z)-{[2-(1H-1,2,3-benzotriazol-1-yl)acetamido]imino}methyl]benzoate

2322-1628 Screening compound: methyl 4-[(Z)-{[2-(1H-1,2,3-benzotriazol-1-yl)acetamido]imino}methyl]benzoate
2322-1628 Screening compound: methyl 4-[(Z)-{[2-(1H-1,2,3-benzotriazol-1-yl)acetamido]imino}methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2322-1628
methyl 4-[(Z)-{[2-(1H-1,2,3-benzotriazol-1-yl)acetamido]imino}methyl]benzoate

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

2322-1628

Molecular Formula

C17H15N5O3 (C17 H15 N5 O3)

Compound Name

methyl 4-[(Z)-{[2-(1H-1,2,3-benzotriazol-1-yl)acetamido]imino}methyl]benzoate

IUPAC name

methyl 4-[(Z)-{[2-(1H-123-benzotriazol-1-yl)acetamido]imino}methyl]benzoate

SMILES

COC(c1ccc(/C=N\NC(Cn2nnc3c2cccc3)=O)cc1)=O

InChI

InChI=1S/C17H15N5O3/c1-25-17(24)13-8-6-12(7-9-13)10-18-20-16(23)11-22-15-5-3-2-4-14(15)19-21-22/h2-10H,11H2,1H3,(H,20,23)

InChI Key

VPMGMSLQIYBBIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.807

Distribution Coefficient, logD

1.807

Water Solubility, LogSw

-2.34

Polar Surface Area

82.212

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2322-1628 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2322-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2322-1628?
Check Price and Availability of 2322-1628, 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 2322-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2322-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2322-1628
  • 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 2322-1628 available by request