7652-0062 Screening compound: 2-phenyl-5-(pyridin-4-yl)-3H-1,3,4-benzotriazepine

7652-0062 Screening compound: 2-phenyl-5-(pyridin-4-yl)-3H-1,3,4-benzotriazepine
7652-0062 Screening compound: 2-phenyl-5-(pyridin-4-yl)-3H-1,3,4-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7652-0062
2-phenyl-5-(pyridin-4-yl)-3H-1,3,4-benzotriazepine

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

7652-0062

Molecular Formula

C19H14N4 (C19 H14 N4)

Compound Name

2-phenyl-5-(pyridin-4-yl)-3H-1,3,4-benzotriazepine

IUPAC name

2-phenyl-5-(pyridin-4-yl)-3H-134-benzotriazepine

SMILES

c(cc1)ccc1C1=Nc(cccc2)c2C(c2ccncc2)=NN1

InChI

InChI=1S/C19H14N4/c1-2-6-15(7-3-1)19-21-17-9-5-4-8-16(17)18(22-23-19)14-10-12-20-13-11-14/h1-13H,(H,21,23)

InChI Key

QDBQZHXEXPFLBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

2.652

Water Solubility, LogSw

-3.58

Polar Surface Area

42.370

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7652-0062 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Others
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 7652-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7652-0062?
Check Price and Availability of 7652-0062, 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 7652-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7652-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7652-0062
  • 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 7652-0062 available by request