C274-8527 Screening compound: 4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

C274-8527 Screening compound: 4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
C274-8527 Screening compound: 4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8527
4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

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

C274-8527

Molecular Formula

C24H29N5O4S (C24 H29 N5 O4 S)

Compound Name

4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

IUPAC name

4-({3-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-213-benzoxadiazole

SMILES

CC(CN(CC1)C(C(CCC2)CN2S(c2cccc3nonc23)(=O)=O)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C24H29N5O4S/c1-17-8-10-20(11-9-17)29-14-13-27(15-18(29)2)24(30)19-5-4-12-28(16-19)34(31,32)22-7-3-6-21-23(22)26-33-25-21/h3,6-11,18-19H,4-5,12-16H2,1-2H3

InChI Key

UJJDMAQHELDNLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.55

Polar Surface Area

87.100

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C274-8527 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C274-8527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8527?
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What is the minimum amount of C274-8527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8527
  • 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 C274-8527 available by request