C274-8419 Screening compound: 4-({3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole

C274-8419 Screening compound: 4-({3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole
C274-8419 Screening compound: 4-({3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8419
4-({3-[3-methyl-4-(3-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

C274-8419

Molecular Formula

C24H29N5O4S (C24 H29 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(CC1)C(C(CCC2)CN2S(c2cccc3nonc23)(=O)=O)=O)N1c1cc(C)ccc1

InChI

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

InChI Key

KBBXHAXZNOIYRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740515

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

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.84

Polar Surface Area

87.100

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

C274-8419 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C274-8419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8419?
Check Price and Availability of C274-8419, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C274-8419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8419
  • 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 C274-8419 available by request