J037-0101 Screening compound: 2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide

J037-0101 Screening compound: 2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide
J037-0101 Screening compound: 2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J037-0101
2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide

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

J037-0101

Molecular Formula

C24H27N3O3S2 (C24 H27 N3 O3 S2)

Compound Name

2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide

IUPAC name

2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-phenylpropanamide

SMILES

CC(C(Nc1ccccc1)=O)Sc1cc(C)c(cc(cc2)S(N3CCCCC3)(=O)=O)c2n1

InChI

InChI=1S/C24H27N3O3S2/c1-17-15-23(31-18(2)24(28)25-19-9-5-3-6-10-19)26-22-12-11-20(16-21(17)22)32(29,30)27-13-7-4-8-14-27/h3,5-6,9-12,15-16,18H,4,7-8,13-14H2,1-2H3,(H,25,28)/t18-/m0/s1

InChI Key

KWOARLVADJBDBY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15079116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-4.84

Polar Surface Area

62.732

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

J037-0101 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with J037-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J037-0101?
Check Price and Availability of J037-0101, 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 J037-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J037-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J037-0101
  • 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 J037-0101 available by request