C519-2642 Screening compound: 6-(azepane-1-sulfonyl)-3-(2,3-dihydro-1H-indole-1-carbonyl)-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one

C519-2642 Screening compound: 6-(azepane-1-sulfonyl)-3-(2,3-dihydro-1H-indole-1-carbonyl)-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one
C519-2642 Screening compound: 6-(azepane-1-sulfonyl)-3-(2,3-dihydro-1H-indole-1-carbonyl)-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-2642
6-(azepane-1-sulfonyl)-3-(2,3-dihydro-1H-indole-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

C519-2642

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

6-(azepane-1-sulfonyl)-3-(2,3-dihydro-1H-indole-1-carbonyl)-1-(prop-2-en-1-yl)-1,4-dihydroquinolin-4-one

IUPAC name

6-(azepane-1-sulfonyl)-3-(23-dihydro-1H-indole-1-carbonyl)-1-(prop-2-en-1-yl)-14-dihydroquinolin-4-one

SMILES

C=CCN(C=C1C(N(CC2)c3c2cccc3)=O)c(ccc(S(N2CCCCCC2)(=O)=O)c2)c2C1=O

InChI

InChI=1S/C27H29N3O4S/c1-2-14-28-19-23(27(32)30-17-13-20-9-5-6-10-24(20)30)26(31)22-18-21(11-12-25(22)28)35(33,34)29-15-7-3-4-8-16-29/h2,5-6,9-12,18-19H,1,3-4,7-8,13-17H2

InChI Key

OSBIZZWNZJBSSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-3.98

Polar Surface Area

63.533

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C519-2642 in Drug Discovery

Included in Screening Libraries

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 C519-2642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-2642?
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What is the minimum amount of C519-2642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-2642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-2642
  • 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 C519-2642 available by request