C769-1082 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-1-yl)quinoline

C769-1082 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-1-yl)quinoline
C769-1082 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-1-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1082
3-(3,4-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-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

C769-1082

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

3-(3,4-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-1-yl)quinoline

IUPAC name

3-(34-dimethylbenzenesulfonyl)-4-(4-phenylpiperazin-1-yl)quinoline

SMILES

Cc(cc1)c(C)cc1S(c(cnc1ccccc11)c1N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C27H27N3O2S/c1-20-12-13-23(18-21(20)2)33(31,32)26-19-28-25-11-7-6-10-24(25)27(26)30-16-14-29(15-17-30)22-8-4-3-5-9-22/h3-13,18-19H,14-17H2,1-2H3

InChI Key

PZRAMMPBIYQULN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.727

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.67

Polar Surface Area

44.703

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C769-1082 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1082?
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What is the minimum amount of C769-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1082
  • 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 C769-1082 available by request