K784-9721 Screening compound: N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

K784-9721 Screening compound: N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
K784-9721 Screening compound: N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9721
N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

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

K784-9721

Molecular Formula

C20H27N3O4S (C20 H27 N3 O4 S)

Compound Name

N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

IUPAC name

N-butyl-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-12-dihydroquinoline-4-carboxamide

SMILES

CCCCNC(C(c(cc(cc1)S(N2CCC(C)CC2)(=O)=O)c1N1)=CC1=O)=O

InChI

InChI=1S/C20H27N3O4S/c1-3-4-9-21-20(25)17-13-19(24)22-18-6-5-15(12-16(17)18)28(26,27)23-10-7-14(2)8-11-23/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,21,25)(H,22,24)

InChI Key

IRMYWBBMFRJOKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.753

Water Solubility, LogSw

-3.55

Polar Surface Area

81.297

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K784-9721 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K784-9721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9721?
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What is the minimum amount of K784-9721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9721
  • 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 K784-9721 available by request