5971-0022 Screening compound: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine

5971-0022 Screening compound: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine
5971-0022 Screening compound: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5971-0022
3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine

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

5971-0022

Molecular Formula

C24H18ClFO3 (C24 H18 ClFO3)

Compound Name

3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine

IUPAC name

3-chloro-2-(34-dimethoxyphenyl)-5-(4-fluorophenyl)-1-benzoxepine

SMILES

COc(ccc(C(Oc(cccc1)c1C(c(cc1)ccc1F)=C1)=C1Cl)c1)c1OC

InChI

InChI=1S/C24H18ClFO3/c1-27-22-12-9-16(13-23(22)28-2)24-20(25)14-19(15-7-10-17(26)11-8-15)18-5-3-4-6-21(18)29-24/h3-14H,1-2H3

InChI Key

WBLYUMVVRCPEIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-6.21

Polar Surface Area

22.452

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5971-0022 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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 5971-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5971-0022?
Check Price and Availability of 5971-0022, 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 5971-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5971-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5971-0022
  • 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 5971-0022 available by request