D510-2227 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide

D510-2227 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide
D510-2227 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-2227
2-(2-{[2-(4-chlorophenoxy)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

D510-2227

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(SCCOc(cc2)ccc2Cl)nc2c1cccc2)NC1CC1

InChI

InChI=1S/C20H20ClN3O2S/c21-14-5-9-16(10-6-14)26-11-12-27-20-23-17-3-1-2-4-18(17)24(20)13-19(25)22-15-7-8-15/h1-6,9-10,15H,7-8,11-13H2,(H,22,25)

InChI Key

VPAZTAUDDGVAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10548680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

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

4.325

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.67

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

30.00

D510-2227 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 D510-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-2227?
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What is the minimum amount of D510-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-2227
  • 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 D510-2227 available by request