E226-0043 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-1,3-benzodiazole

E226-0043 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-1,3-benzodiazole
E226-0043 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E226-0043
2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-1,3-benzodiazole

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

E226-0043

Molecular Formula

C27H27FN4O2S (C27 H27 FN4 O2 S)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methyl-1H-13-benzodiazole

SMILES

Cn1c(SCc(cc2)ccc2F)nc(cc2)c1cc2C(N(CC1)CCN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C27H27FN4O2S/c1-30-25-17-20(5-12-24(25)29-27(30)35-18-19-3-6-21(28)7-4-19)26(33)32-15-13-31(14-16-32)22-8-10-23(34-2)11-9-22/h3-12,17H,13-16,18H2,1-2H3

InChI Key

GHXVXZGHVBLJBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.41

Polar Surface Area

39.011

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E226-0043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E226-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E226-0043?
Check Price and Availability of E226-0043, 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 E226-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E226-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E226-0043
  • 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 E226-0043 available by request