D394-6025 Screening compound: 2,4-dimethylphenyl 2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate

D394-6025 Screening compound: 2,4-dimethylphenyl 2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
D394-6025 Screening compound: 2,4-dimethylphenyl 2-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D394-6025
2,4-dimethylphenyl 2-{[5-(4-nitrophenyl)-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

D394-6025

Molecular Formula

C18H15N3O5S (C18 H15 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(C)c1OC(CSc1nnc(-c(cc2)ccc2[N+]([O-])=O)o1)=O

InChI

InChI=1S/C18H15N3O5S/c1-11-3-8-15(12(2)9-11)25-16(22)10-27-18-20-19-17(26-18)13-4-6-14(7-5-13)21(23)24/h3-9H,10H2,1-2H3

InChI Key

WNWDWWLFEDLBNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.45

Polar Surface Area

83.587

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D394-6025 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 D394-6025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D394-6025?
Check Price and Availability of D394-6025, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D394-6025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D394-6025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D394-6025
  • 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 D394-6025 available by request