K786-3739 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline

K786-3739 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline
K786-3739 Screening compound: 4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3739
4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-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

K786-3739

Molecular Formula

C30H31N5O4S (C30 H31 N5 O4 S)

Compound Name

4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline

IUPAC name

4-(4-benzylpiperazine-1-carbonyl)-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline

SMILES

O=C(c1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2nc(-c2ncccc2)c1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C30H31N5O4S/c36-30(34-14-12-33(13-15-34)22-23-6-2-1-3-7-23)26-21-29(28-8-4-5-11-31-28)32-27-10-9-24(20-25(26)27)40(37,38)35-16-18-39-19-17-35/h1-11,20-21H,12-19,22H2

InChI Key

UKVBSKPEHLKMCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.44

Polar Surface Area

77.154

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K786-3739 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K786-3739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3739?
Check Price and Availability of K786-3739, 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 K786-3739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3739
  • 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 K786-3739 available by request