3335-0681 Screening compound: 2-({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide

3335-0681 Screening compound: 2-({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide
3335-0681 Screening compound: 2-({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-0681
2-({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-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

3335-0681

Molecular Formula

C20H19Cl2N3O3S (C20 H19 Cl2 N3 O3 S)

Compound Name

2-({5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide

IUPAC name

2-({5-[(24-dichlorophenoxy)methyl]-134-oxadiazol-2-yl}sulfanyl)-N-phenyl-N-(propan-2-yl)acetamide

SMILES

CC(C)N(C(CSc1nnc(COc(ccc(Cl)c2)c2Cl)o1)=O)c1ccccc1

InChI

InChI=1S/C20H19Cl2N3O3S/c1-13(2)25(15-6-4-3-5-7-15)19(26)12-29-20-24-23-18(28-20)11-27-17-9-8-14(21)10-16(17)22/h3-10,13H,11-12H2,1-2H3

InChI Key

HJJZSFXNORCVPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02252283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.43

Polar Surface Area

52.534

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3335-0681 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3335-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-0681?
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What is the minimum amount of 3335-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-0681
  • 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 3335-0681 available by request