D165-0329 Screening compound: 4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine

D165-0329 Screening compound: 4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
D165-0329 Screening compound: 4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0329
4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-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

D165-0329

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine

IUPAC name

4-(4-ethoxyphenyl)-7-(propan-2-yl)-2-(thiophen-2-yl)-1H-135-benzotriazepine

SMILES

CCOc(cc1)ccc1C1=Nc(cc(C(C)C)cc2)c2NC(c2cccs2)=N1

InChI

InChI=1S/C23H23N3OS/c1-4-27-18-10-7-16(8-11-18)22-25-20-14-17(15(2)3)9-12-19(20)24-23(26-22)21-6-5-13-28-21/h5-15H,4H2,1-3H3,(H,24,25,26)

InChI Key

OSDNWKVBPNENNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-5.57

Polar Surface Area

39.617

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D165-0329 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D165-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0329?
Check Price and Availability of D165-0329, 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 D165-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0329
  • 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 D165-0329 available by request