F485-0641 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-3-methoxy-1-benzenesulfonamide

F485-0641 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-3-methoxy-1-benzenesulfonamide
F485-0641 Screening compound: N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-3-methoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F485-0641
N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-3-methoxy-1-benzenesulfonamide

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

F485-0641

Molecular Formula

C16H17N3O3S (C16 H17 N3 O3 S)

Compound Name

N~1~-[2-(1H-1,3-benzimidazol-1-yl)ethyl]-3-methoxy-1-benzenesulfonamide

IUPAC name

N-[2-(1H-13-benzodiazol-1-yl)ethyl]-3-methoxybenzene-1-sulfonamide

SMILES

COc1cccc(S(NCCn2c(cccc3)c3nc2)(=O)=O)c1

InChI

InChI=1S/C16H17N3O3S/c1-22-13-5-4-6-14(11-13)23(20,21)18-9-10-19-12-17-15-7-2-3-8-16(15)19/h2-8,11-12,18H,9-10H2,1H3

InChI Key

MLGQTCZWUAFYQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27133859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.66

Polar Surface Area

59.817

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

F485-0641 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with F485-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F485-0641?
Check Price and Availability of F485-0641, 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 F485-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F485-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F485-0641
  • 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 F485-0641 available by request