C292-0461 Screening compound: N-CYCLOHEXYL-2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDE

C292-0461 Screening compound: N-CYCLOHEXYL-2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDE
C292-0461 Screening compound: N-CYCLOHEXYL-2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C292-0461
N-CYCLOHEXYL-2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDE

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

C292-0461

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

N-CYCLOHEXYL-2-{[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CSc1nnc(-c(cc2)cc3c2OCCO3)o1)NC1CCCCC1

InChI

InChI=1S/C18H21N3O4S/c22-16(19-13-4-2-1-3-5-13)11-26-18-21-20-17(25-18)12-6-7-14-15(10-12)24-9-8-23-14/h6-7,10,13H,1-5,8-9,11H2,(H,19,22)

InChI Key

ZGVHFCVPRBKNGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04460970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.59

Polar Surface Area

70.084

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C292-0461 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C292-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C292-0461?
Check Price and Availability of C292-0461, 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 C292-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C292-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C292-0461
  • 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 C292-0461 available by request