D165-0301 Screening compound: 4-[7-FLUORO-2-(4-PYRIDYL)-1H-1,3,5-BENZOTRIAZEPIN-4-YL]PHENYL ISOBUTYL ETHER

D165-0301 Screening compound: 4-[7-FLUORO-2-(4-PYRIDYL)-1H-1,3,5-BENZOTRIAZEPIN-4-YL]PHENYL ISOBUTYL ETHER
D165-0301 Screening compound: 4-[7-FLUORO-2-(4-PYRIDYL)-1H-1,3,5-BENZOTRIAZEPIN-4-YL]PHENYL ISOBUTYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0301
4-[7-FLUORO-2-(4-PYRIDYL)-1H-1,3,5-BENZOTRIAZEPIN-4-YL]PHENYL ISOBUTYL ETHER

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

D165-0301

Molecular Formula

C23H21FN4O (C23 H21 FN4 O)

Compound Name

4-[7-FLUORO-2-(4-PYRIDYL)-1H-1,3,5-BENZOTRIAZEPIN-4-YL]PHENYL ISOBUTYL ETHER

IUPAC name

n/a

SMILES

CC(C)COc(cc1)ccc1C1=Nc(cc(cc2)F)c2NC(c2ccncc2)=N1

InChI

InChI=1S/C23H21FN4O/c1-15(2)14-29-19-6-3-16(4-7-19)22-27-21-13-18(24)5-8-20(21)26-23(28-22)17-9-11-25-12-10-17/h3-13,15H,14H2,1-2H3,(H,26,27,28)

InChI Key

LUAARKGPSOPVGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.700

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-4.15

Polar Surface Area

48.402

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D165-0301 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D165-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0301?
Check Price and Availability of D165-0301, 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 D165-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0301
  • 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 D165-0301 available by request