8016-4310 Screening compound: N-(1H-1,3-benzimidazol-2-ylmethyl)-4-ethoxy-3-methyl-1-benzenesulfonamide

8016-4310 Screening compound: N-(1H-1,3-benzimidazol-2-ylmethyl)-4-ethoxy-3-methyl-1-benzenesulfonamide
8016-4310 Screening compound: N-(1H-1,3-benzimidazol-2-ylmethyl)-4-ethoxy-3-methyl-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4310
N-(1H-1,3-benzimidazol-2-ylmethyl)-4-ethoxy-3-methyl-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

8016-4310

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

N-(1H-1,3-benzimidazol-2-ylmethyl)-4-ethoxy-3-methyl-1-benzenesulfonamide

IUPAC name

N-[(1H-13-benzodiazol-2-yl)methyl]-4-ethoxy-3-methylbenzene-1-sulfonamide

SMILES

CCOc(cc1)c(C)cc1S(NCc1nc(cccc2)c2[nH]1)(=O)=O

InChI

InChI=1S/C17H19N3O3S/c1-3-23-16-9-8-13(10-12(16)2)24(21,22)18-11-17-19-14-6-4-5-7-15(14)20-17/h4-10,18H,3,11H2,1-2H3,(H,19,20)

InChI Key

GCEHYAXELZCQIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.75

Polar Surface Area

69.489

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8016-4310 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-4310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4310?
Check Price and Availability of 8016-4310, 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 8016-4310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4310
  • 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 8016-4310 available by request