S561-0104 Screening compound: 1H-1,3-benzimidazol-5-yl[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azepanyl]methanone

S561-0104 Screening compound: 1H-1,3-benzimidazol-5-yl[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azepanyl]methanone
S561-0104 Screening compound: 1H-1,3-benzimidazol-5-yl[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azepanyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S561-0104
1H-1,3-benzimidazol-5-yl[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azepanyl]methanone

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

S561-0104

Molecular Formula

C17H19N5O2 (C17 H19 N5 O2)

Compound Name

1H-1,3-benzimidazol-5-yl[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azepanyl]methanone

IUPAC name

n/a

SMILES

Cc1nnc(C(CCCCC2)N2C(c(cc2)cc3c2[nH]cn3)=O)o1

InChI

InChI=1S/C17H19N5O2/c1-11-20-21-16(24-11)15-5-3-2-4-8-22(15)17(23)12-6-7-13-14(9-12)19-10-18-13/h6-7,9-10,15H,2-5,8H2,1H3,(H,18,19)/t15-/m0/s1

InChI Key

KBXNCSYJAQNWHW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD30460259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.07

Polar Surface Area

67.185

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

S561-0104 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S561-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S561-0104?
Check Price and Availability of S561-0104, 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 S561-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S561-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S561-0104
  • 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 S561-0104 available by request