D165-0098 Screening compound: 4-(3,4-diethoxyphenyl)-2-phenyl-1H-naphtho[1,2-f][1,3,5]triazepine

D165-0098 Screening compound: 4-(3,4-diethoxyphenyl)-2-phenyl-1H-naphtho[1,2-f][1,3,5]triazepine
D165-0098 Screening compound: 4-(3,4-diethoxyphenyl)-2-phenyl-1H-naphtho[1,2-f][1,3,5]triazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0098
4-(3,4-diethoxyphenyl)-2-phenyl-1H-naphtho[1,2-f][1,3,5]triazepine

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

D165-0098

Molecular Formula

C28H25N3O2 (C28 H25 N3 O2)

Compound Name

4-(3,4-diethoxyphenyl)-2-phenyl-1H-naphtho[1,2-f][1,3,5]triazepine

IUPAC name

4-(34-diethoxyphenyl)-2-phenyl-1H-naphtho[12-f][135]triazepine

SMILES

CCOc(ccc(C1=Nc(ccc2ccccc22)c2NC(c2ccccc2)=N1)c1)c1OCC

InChI

InChI=1S/C28H25N3O2/c1-3-32-24-17-15-21(18-25(24)33-4-2)28-29-23-16-14-19-10-8-9-13-22(19)26(23)30-27(31-28)20-11-6-5-7-12-20/h5-18H,3-4H2,1-2H3,(H,29,30,31)

InChI Key

VSPNHOYECMHQTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-6.24

Polar Surface Area

43.372

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D165-0098 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D165-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0098?
Check Price and Availability of D165-0098, 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 D165-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0098
  • 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 D165-0098 available by request