D165-0081 Screening compound: 4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine

D165-0081 Screening compound: 4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
D165-0081 Screening compound: 4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0081
4-(4-butoxyphenyl)-7-methoxy-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

D165-0081

Molecular Formula

C23H23N3O2S (C23 H23 N3 O2 S)

Compound Name

4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine

IUPAC name

4-(4-butoxyphenyl)-7-methoxy-2-(thiophen-2-yl)-1H-135-benzotriazepine

SMILES

CCCCOc(cc1)ccc1C1=Nc(cc(cc2)OC)c2NC(c2cccs2)=N1

InChI

InChI=1S/C23H23N3O2S/c1-3-4-13-28-17-9-7-16(8-10-17)22-25-20-15-18(27-2)11-12-19(20)24-23(26-22)21-6-5-14-29-21/h5-12,14-15H,3-4,13H2,1-2H3,(H,24,25,26)

InChI Key

USHXZBZTUKDSEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.075

Distribution Coefficient, logD

6.075

Water Solubility, LogSw

-5.45

Polar Surface Area

47.455

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D165-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D165-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0081?
Check Price and Availability of D165-0081, 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 D165-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0081
  • 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 D165-0081 available by request