C769-1454 Screening compound: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline

C769-1454 Screening compound: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline
C769-1454 Screening compound: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1454
3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline

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

C769-1454

Molecular Formula

C26H25N3O2S (C26 H25 N3 O2 S)

Compound Name

3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline

IUPAC name

3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinoline

SMILES

O=S(c1ccccc1)(c(cnc1ccccc11)c1N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C26H25N3O2S/c30-32(31,22-11-5-2-6-12-22)25-19-27-24-14-8-7-13-23(24)26(25)29-17-15-28(16-18-29)20-21-9-3-1-4-10-21/h1-14,19H,15-18,20H2

InChI Key

YSXUWDKQYZSCAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.334

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.17

Polar Surface Area

44.983

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C769-1454 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1454?
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What is the minimum amount of C769-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1454
  • 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 C769-1454 available by request