D510-2185 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide

D510-2185 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide
D510-2185 Screening compound: 2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-2185
2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide

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

D510-2185

Molecular Formula

C21H22ClN3O2S (C21 H22 ClN3 O2 S)

Compound Name

2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide

IUPAC name

2-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)-N-cyclopropylacetamide

SMILES

Cc(cc(cc1)OCCSc2nc(cccc3)c3n2CC(NC2CC2)=O)c1Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-14-12-16(8-9-17(14)22)27-10-11-28-21-24-18-4-2-3-5-19(18)25(21)13-20(26)23-15-6-7-15/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,23,26)

InChI Key

WSXPCGVWLJRZHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10044569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

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

5.010

Distribution Coefficient, logD

5.009

Water Solubility, LogSw

-5.15

Polar Surface Area

42.423

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D510-2185 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D510-2185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-2185?
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What is the minimum amount of D510-2185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-2185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-2185
  • 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 D510-2185 available by request