D400-1548 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}cyclohexanecarboxamide

D400-1548 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}cyclohexanecarboxamide
D400-1548 Screening compound: N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-1548
N-{2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl}cyclohexanecarboxamide

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

D400-1548

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(-c(cccc2)c2NC(C2CCCCC2)=O)n1

InChI

InChI=1S/C22H23N3O3/c1-27-17-13-11-15(12-14-17)20-24-22(28-25-20)18-9-5-6-10-19(18)23-21(26)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,23,26)

InChI Key

TWVYSCFWOJYIAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06787840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.149

Distribution Coefficient, logD

5.149

Water Solubility, LogSw

-4.88

Polar Surface Area

61.773

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D400-1548 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 D400-1548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-1548?
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What is the minimum amount of D400-1548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-1548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-1548
  • 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 D400-1548 available by request