D510-2016 Screening compound: N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetamide

D510-2016 Screening compound: N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetamide
D510-2016 Screening compound: N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-2016
N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}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

D510-2016

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetamide

IUPAC name

N-cyclopentyl-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-13-benzodiazol-1-yl}acetamide

SMILES

O=C(Cn1c(SCCOc2ccccc2)nc2c1cccc2)NC1CCCC1

InChI

InChI=1S/C22H25N3O2S/c26-21(23-17-8-4-5-9-17)16-25-20-13-7-6-12-19(20)24-22(25)28-15-14-27-18-10-2-1-3-11-18/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,23,26)

InChI Key

QSIRKCYMMNKMFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.44

Polar Surface Area

42.458

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D510-2016 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D510-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-2016?
Check Price and Availability of D510-2016, 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 D510-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-2016
  • 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 D510-2016 available by request