D400-6728 Screening compound: N-{4-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}acetamide

D400-6728 Screening compound: N-{4-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}acetamide
D400-6728 Screening compound: N-{4-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6728
N-{4-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}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

D400-6728

Molecular Formula

C23H26N4O5S (C23 H26 N4 O5 S)

Compound Name

N-{4-[3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}acetamide

IUPAC name

N-{4-[3-(5-cyclohexyl-124-oxadiazol-3-yl)-4-methoxybenzenesulfonamido]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1NS(c(cc1)cc(-c2noc(C3CCCCC3)n2)c1OC)(=O)=O)=O

InChI

InChI=1S/C23H26N4O5S/c1-15(28)24-17-8-10-18(11-9-17)27-33(29,30)19-12-13-21(31-2)20(14-19)22-25-23(32-26-22)16-6-4-3-5-7-16/h8-14,16,27H,3-7H2,1-2H3,(H,24,28)

InChI Key

QFYMMBHAIYMVOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.39

Polar Surface Area

103.378

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D400-6728 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 D400-6728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6728?
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What is the minimum amount of D400-6728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6728
  • 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 D400-6728 available by request