L612-0039 Screening compound: N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide

L612-0039 Screening compound: N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide
L612-0039 Screening compound: N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L612-0039
N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-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

L612-0039

Molecular Formula

C23H25N3O4S2 (C23 H25 N3 O4 S2)

Compound Name

N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide

IUPAC name

N-(butan-2-yl)-6-{[4-(4-methoxybenzenesulfonamido)phenyl]sulfanyl}pyridine-3-carboxamide

SMILES

CCC(C)NC(c(cc1)cnc1Sc(cc1)ccc1NS(c(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C23H25N3O4S2/c1-4-16(2)25-23(27)17-5-14-22(24-15-17)31-20-10-6-18(7-11-20)26-32(28,29)21-12-8-19(30-3)9-13-21/h5-16,26H,4H2,1-3H3,(H,25,27)/t16-/m0/s1

InChI Key

PFPYZENKPPLYHX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15132190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.340

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.08

Polar Surface Area

80.785

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

L612-0039 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L612-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L612-0039?
Check Price and Availability of L612-0039, 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 L612-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L612-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L612-0039
  • 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 L612-0039 available by request