D400-0180 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

D400-0180 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide
D400-0180 Screening compound: N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0180
N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

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

D400-0180

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}acetamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-2-{3-[3-(4-methylphenyl)-124-oxadiazol-5-yl]phenoxy}acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c2cccc(OCC(NCc(cccc3)c3OC)=O)c2)n1

InChI

InChI=1S/C25H23N3O4/c1-17-10-12-18(13-11-17)24-27-25(32-28-24)19-7-5-8-21(14-19)31-16-23(29)26-15-20-6-3-4-9-22(20)30-2/h3-14H,15-16H2,1-2H3,(H,26,29)

InChI Key

LOZPDPFGNJZCLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.246

Water Solubility, LogSw

-5.01

Polar Surface Area

70.974

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D400-0180 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0180?
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What is the minimum amount of D400-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0180
  • 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 D400-0180 available by request