J037-0090 Screening compound: N-(3,4-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide

J037-0090 Screening compound: N-(3,4-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
J037-0090 Screening compound: N-(3,4-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J037-0090
N-(3,4-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide

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

J037-0090

Molecular Formula

C25H29N3O3S2 (C25 H29 N3 O3 S2)

Compound Name

N-(3,4-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{[4-methyl-6-(piperidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1cc(C)c(cc(cc2)S(N3CCCCC3)(=O)=O)c2n1)=O

InChI

InChI=1S/C25H29N3O3S2/c1-17-7-8-20(13-18(17)2)26-24(29)16-32-25-14-19(3)22-15-21(9-10-23(22)27-25)33(30,31)28-11-5-4-6-12-28/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,26,29)

InChI Key

TYDHCQFPGIBLBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.66

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

5.749

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-5.33

Polar Surface Area

62.519

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

J037-0090 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J037-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J037-0090?
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What is the minimum amount of J037-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J037-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J037-0090
  • 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 J037-0090 available by request