C769-1135 Screening compound: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline

C769-1135 Screening compound: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline
C769-1135 Screening compound: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1135
3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline

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

C769-1135

Molecular Formula

C27H26FN3O4S (C27 H26 FN3 O4 S)

Compound Name

3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinoline

IUPAC name

3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-67-dimethoxyquinoline

SMILES

COc(cc(c(nc1)c2)c(N(CC3)CCN3c(cc3)ccc3F)c1S(c1ccccc1)(=O)=O)c2OC

InChI

InChI=1S/C27H26FN3O4S/c1-34-24-16-22-23(17-25(24)35-2)29-18-26(36(32,33)21-6-4-3-5-7-21)27(22)31-14-12-30(13-15-31)20-10-8-19(28)9-11-20/h3-11,16-18H,12-15H2,1-2H3

InChI Key

XZEHNCCSFLJGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.25

Polar Surface Area

59.963

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C769-1135 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1135?
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What is the minimum amount of C769-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1135
  • 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 C769-1135 available by request