K784-7512 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide

K784-7512 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide
K784-7512 Screening compound: N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7512
N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-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

K784-7512

Molecular Formula

C27H34ClN3OS (C27 H34 ClN3 OS)

Compound Name

N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide

IUPAC name

N-{3-[bis(2-methylpropyl)amino]propyl}-2-[(4-chlorophenyl)sulfanyl]quinoline-4-carboxamide

SMILES

CC(C)CN(CCCNC(c1cc(Sc(cc2)ccc2Cl)nc2ccccc12)=O)CC(C)C

InChI

InChI=1S/C27H34ClN3OS/c1-19(2)17-31(18-20(3)4)15-7-14-29-27(32)24-16-26(30-25-9-6-5-8-23(24)25)33-22-12-10-21(28)11-13-22/h5-6,8-13,16,19-20H,7,14-15,17-18H2,1-4H3,(H,29,32)

InChI Key

JYLVPPRANKSOLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.438

Distribution Coefficient, logD

4.642

Water Solubility, LogSw

-6.35

Polar Surface Area

36.147

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K784-7512 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7512?
Check Price and Availability of K784-7512, 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 K784-7512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7512
  • 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 K784-7512 available by request