C519-2651 Screening compound: 6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one

C519-2651 Screening compound: 6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one
C519-2651 Screening compound: 6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-2651
6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one

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

C519-2651

Molecular Formula

C30H35ClN4O4S (C30 H35 ClN4 O4 S)

Compound Name

6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one

IUPAC name

6-(azepane-1-sulfonyl)-3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-(prop-2-en-1-yl)-14-dihydroquinolin-4-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C1=CN(CC=C)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C30H35ClN4O4S/c1-3-12-34-21-26(30(37)33-17-15-32(16-18-33)28-19-23(31)9-8-22(28)2)29(36)25-20-24(10-11-27(25)34)40(38,39)35-13-6-4-5-7-14-35/h3,8-11,19-21H,1,4-7,12-18H2,2H3

InChI Key

RPMRDEAXXGIPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.15

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.87

Polar Surface Area

67.462

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C519-2651 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C519-2651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2651?
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What is the minimum amount of C519-2651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2651
  • 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 C519-2651 available by request