D344-8990 Screening compound: N-benzyl-2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

D344-8990 Screening compound: N-benzyl-2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide
D344-8990 Screening compound: N-benzyl-2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-8990
N-benzyl-2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

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

D344-8990

Molecular Formula

C18H16ClN3O2S (C18 H16 ClN3 O2 S)

Compound Name

N-benzyl-2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

IUPAC name

N-benzyl-2-{[5-(3-chlorophenyl)-134-oxadiazol-2-yl]sulfanyl}-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CSc1nnc(-c2cccc(Cl)c2)o1)=O

InChI

InChI=1S/C18H16ClN3O2S/c1-22(11-13-6-3-2-4-7-13)16(23)12-25-18-21-20-17(24-18)14-8-5-9-15(19)10-14/h2-10H,11-12H2,1H3

InChI Key

VVTIVZRHDFHAAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07292018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.23

Polar Surface Area

45.959

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D344-8990 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with D344-8990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-8990?
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What is the minimum amount of D344-8990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-8990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-8990
  • 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 D344-8990 available by request