D654-0216 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide

D654-0216 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide
D654-0216 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0216
N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide

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

D654-0216

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide

IUPAC name

N-{2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]phenyl}-4-(propan-2-yloxy)benzamide

SMILES

CC(C)Oc(cc1)ccc1C(Nc(cccc1)c1-c1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C25H23N3O4/c1-16(2)31-20-14-10-18(11-15-20)24(29)26-22-7-5-4-6-21(22)25-27-23(28-32-25)17-8-12-19(30-3)13-9-17/h4-16H,1-3H3,(H,26,29)

InChI Key

PYKFACAYCAXQKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13953633

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

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.611

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-5.38

Polar Surface Area

68.384

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D654-0216 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 D654-0216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0216?
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What is the minimum amount of D654-0216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0216
  • 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 D654-0216 available by request