K788-0972 Screening compound: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

K788-0972 Screening compound: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide
K788-0972 Screening compound: 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0972
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

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

K788-0972

Molecular Formula

C28H25F3N4O5S (C28 H25 F3 N4 O5 S)

Compound Name

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-oxo-N-[3-(trifluoromethyl)phenyl]-14-dihydroquinoline-6-sulfonamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(C1=CNc(ccc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C28H25F3N4O5S/c1-40-25-8-3-2-7-24(25)34-11-13-35(14-12-34)27(37)22-17-32-23-10-9-20(16-21(23)26(22)36)41(38,39)33-19-6-4-5-18(15-19)28(29,30)31/h2-10,15-17,33H,11-14H2,1H3,(H,32,36)

InChI Key

KGKHMVALLDGWRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-4.28

Polar Surface Area

92.246

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K788-0972 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K788-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0972?
Check Price and Availability of K788-0972, 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 K788-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0972
  • 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 K788-0972 available by request