D347-0599 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

D347-0599 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
D347-0599 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0599
2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

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

D347-0599

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(Cn1c(SCCOc(cc2)ccc2Cl)nc2c1cccc2)N1CCOCC1

InChI

InChI=1S/C21H22ClN3O3S/c22-16-5-7-17(8-6-16)28-13-14-29-21-23-18-3-1-2-4-19(18)25(21)15-20(26)24-9-11-27-12-10-24/h1-8H,9-15H2

InChI Key

FOKFXFRBSLFQML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09366506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-4.08

Polar Surface Area

42.196

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D347-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0599?
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What is the minimum amount of D347-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0599
  • 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 D347-0599 available by request