K917-1127 Screening compound: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide

K917-1127 Screening compound: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide
K917-1127 Screening compound: 3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K917-1127
3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-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

K917-1127

Molecular Formula

C23H24BrN3O4S (C23 H24 BrN3 O4 S)

Compound Name

3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-1,4-dihydroquinoline-6-sulfonamide

IUPAC name

3-(azepane-1-carbonyl)-N-(4-bromophenyl)-N-methyl-4-oxo-14-dihydroquinoline-6-sulfonamide

SMILES

CN(c(cc1)ccc1Br)S(c(cc1)cc2c1NC=C(C(N1CCCCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C23H24BrN3O4S/c1-26(17-8-6-16(24)7-9-17)32(30,31)18-10-11-21-19(14-18)22(28)20(15-25-21)23(29)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13H2,1H3,(H,25,28)

InChI Key

XOGHDTQLDIESLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-4.19

Polar Surface Area

74.158

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with K917-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K917-1127?
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What is the minimum amount of K917-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K917-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K917-1127
  • 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 K917-1127 available by request