D400-0157 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one

D400-0157 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one
D400-0157 Screening compound: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0157
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one

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

D400-0157

Molecular Formula

C28H28N4O4 (C28 H28 N4 O4)

Compound Name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}ethan-1-one

IUPAC name

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenoxy}ethan-1-one

SMILES

Cc(cc1)ccc1-c1noc(-c2cccc(OCC(N(CC3)CCN3c(cccc3)c3OC)=O)c2)n1

InChI

InChI=1S/C28H28N4O4/c1-20-10-12-21(13-11-20)27-29-28(36-30-27)22-6-5-7-23(18-22)35-19-26(33)32-16-14-31(15-17-32)24-8-3-4-9-25(24)34-2/h3-13,18H,14-17,19H2,1-2H3

InChI Key

YXQVKMANPNTIBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.71

Polar Surface Area

65.854

Acid Dissociation Constant (pKa)

24.80

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D400-0157 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D400-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0157?
Check Price and Availability of D400-0157, 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 D400-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0157
  • 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 D400-0157 available by request