J037-0039 Screening compound: 2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

J037-0039 Screening compound: 2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
J037-0039 Screening compound: 2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J037-0039
2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)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

J037-0039

Molecular Formula

C25H29N3O3S2 (C25 H29 N3 O3 S2)

Compound Name

2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide

IUPAC name

2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}-N-(246-trimethylphenyl)acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1cc(C)c(cc(cc2)S(N3CCCC3)(=O)=O)c2n1)=O

InChI

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

InChI Key

MSNWEGOZJFMXQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079062

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

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.63

Polar Surface Area

61.489

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

J037-0039 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 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 J037-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J037-0039?
Check Price and Availability of J037-0039, 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 J037-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J037-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J037-0039
  • 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 J037-0039 available by request