D394-6105 Screening compound: 2-chlorophenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6105 Screening compound: 2-chlorophenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6105 Screening compound: 2-chlorophenyl 2-{[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6105
2-chlorophenyl 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

D394-6105

Molecular Formula

C18H15ClN2O5S (C18 H15 ClN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c(o1)nnc1SCC(Oc(cccc1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C18H15ClN2O5S/c1-23-14-8-7-11(9-15(14)24-2)17-20-21-18(26-17)27-10-16(22)25-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3

InChI Key

HBDKVIWDJVILRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.85

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

3.222

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.72

Polar Surface Area

65.466

Acid Dissociation Constant (pKa)

18.31

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D394-6105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D394-6105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6105?
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What is the minimum amount of D394-6105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6105
  • 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 D394-6105 available by request