D394-6102 Screening compound: 2,5-dimethylphenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6102 Screening compound: 2,5-dimethylphenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6102 Screening compound: 2,5-dimethylphenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6102
2,5-dimethylphenyl 2-{[5-(3,4-dimethoxyphenyl)-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

D394-6102

Molecular Formula

C20H20N2O5S (C20 H20 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OC(CSc2nnc(-c(cc3)cc(OC)c3OC)o2)=O)c(C)cc1

InChI

InChI=1S/C20H20N2O5S/c1-12-5-6-13(2)16(9-12)26-18(23)11-28-20-22-21-19(27-20)14-7-8-15(24-3)17(10-14)25-4/h5-10H,11H2,1-4H3

InChI Key

LVJXGDHZMXJNMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.07

Polar Surface Area

65.466

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D394-6102 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D394-6102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6102?
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What is the minimum amount of D394-6102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6102
  • 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 D394-6102 available by request