3371-1076 Screening compound: 8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline

3371-1076 Screening compound: 8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline
3371-1076 Screening compound: 8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3371-1076
8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)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

3371-1076

Molecular Formula

C26H21ClN4O3S (C26 H21 ClN4 O3 S)

Compound Name

8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline

IUPAC name

8-({5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)quinoline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1C(c(cc1)ccc1Cl)=O)c1)c1Sc1cccc2cccnc12)=O

InChI

InChI=1S/C26H21ClN4O3S/c27-20-8-6-19(7-9-20)26(32)30-15-13-29(14-16-30)21-10-11-22(31(33)34)24(17-21)35-23-5-1-3-18-4-2-12-28-25(18)23/h1-12,17H,13-16H2

InChI Key

XXWCMEITGQBESA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.122

Distribution Coefficient, logD

5.119

Water Solubility, LogSw

-5.81

Polar Surface Area

62.489

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

3371-1076 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3371-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3371-1076?
Check Price and Availability of 3371-1076, 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 3371-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3371-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3371-1076
  • 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 3371-1076 available by request