D165-0113 Screening compound: 7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

D165-0113 Screening compound: 7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine
D165-0113 Screening compound: 7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound D165-0113
7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-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

D165-0113

Molecular Formula

C22H17BrFN3O (C22 H17 BrFN3 O)

Compound Name

7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-1,3,5-benzotriazepine

IUPAC name

7-bromo-4-(4-ethoxyphenyl)-2-(4-fluorophenyl)-1H-135-benzotriazepine

SMILES

CCOc(cc1)ccc1C1=Nc(cc(cc2)Br)c2NC(c(cc2)ccc2F)=N1

InChI

InChI=1S/C22H17BrFN3O/c1-2-28-18-10-5-15(6-11-18)22-26-20-13-16(23)7-12-19(20)25-21(27-22)14-3-8-17(24)9-4-14/h3-13H,2H2,1H3,(H,25,26,27)

InChI Key

BCWZQIBPQNTWRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-5.60

Polar Surface Area

38.599

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D165-0113 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D165-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D165-0113?
Check Price and Availability of D165-0113, 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 D165-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D165-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D165-0113
  • 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 D165-0113 available by request