F485-0461 Screening compound: N-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide

F485-0461 Screening compound: N-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide
F485-0461 Screening compound: N-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F485-0461
N-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide

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

F485-0461

Molecular Formula

C21H21N3O2S2 (C21 H21 N3 O2 S2)

Compound Name

N-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide

IUPAC name

N-{2-[2-(2-phenylethyl)-1H-13-benzodiazol-1-yl]ethyl}thiophene-2-sulfonamide

SMILES

O=S(c1cccs1)(NCCn1c(cccc2)c2nc1CCc1ccccc1)=O

InChI

InChI=1S/C21H21N3O2S2/c25-28(26,21-11-6-16-27-21)22-14-15-24-19-10-5-4-9-18(19)23-20(24)13-12-17-7-2-1-3-8-17/h1-11,16,22H,12-15H2

InChI Key

ZRSJQCUQOSZNNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.88

Polar Surface Area

53.740

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F485-0461 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F485-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F485-0461?
Check Price and Availability of F485-0461, 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 F485-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F485-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F485-0461
  • 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 F485-0461 available by request