D394-5855 Screening compound: 3,4-dimethylphenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-5855 Screening compound: 3,4-dimethylphenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-5855 Screening compound: 3,4-dimethylphenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-5855
3,4-dimethylphenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

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

D394-5855

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

3,4-dimethylphenyl 2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

IUPAC name

34-dimethylphenyl 2-{[5-(4-methoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetate

SMILES

Cc(cc1)c(C)cc1OC(CSc1nnc(-c(cc2)ccc2OC)o1)=O

InChI

InChI=1S/C19H18N2O4S/c1-12-4-7-16(10-13(12)2)24-17(22)11-26-19-21-20-18(25-19)14-5-8-15(23-3)9-6-14/h4-10H,11H2,1-3H3

InChI Key

VUORVNOIMZMIBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05428964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.289

Distribution Coefficient, logD

4.289

Water Solubility, LogSw

-4.37

Polar Surface Area

57.662

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D394-5855 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D394-5855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-5855?
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What is the minimum amount of D394-5855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-5855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-5855
  • 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 D394-5855 available by request