V009-4581 Screening compound: N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide

V009-4581 Screening compound: N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide
V009-4581 Screening compound: N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4581
N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide

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

V009-4581

Molecular Formula

C31H33N3O3S2 (C31 H33 N3 O3 S2)

Compound Name

N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide

IUPAC name

N-cyclohexyl-N-{2-[4-(2-methylphenyl)-4H5H6H7H-thieno[32-c]pyridin-5-yl]-2-oxoethyl}quinoline-8-sulfonamide

SMILES

Cc1c(C(c2c(CC3)scc2)N3C(CN(C2CCCCC2)S(c2cccc3cccnc23)(=O)=O)=O)cccc1

InChI

InChI=1S/C31H33N3O3S2/c1-22-9-5-6-14-25(22)31-26-17-20-38-27(26)16-19-33(31)29(35)21-34(24-12-3-2-4-13-24)39(36,37)28-15-7-10-23-11-8-18-32-30(23)28/h5-11,14-15,17-18,20,24,31H,2-4,12-13,16,19,21H2,1H3/t31-/m1/s1

InChI Key

AUHBVZXWYKIRKK-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD19763867

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.75

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.193

Water Solubility, LogSw

-5.76

Polar Surface Area

57.544

Acid Dissociation Constant (pKa)

22.19

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.50

V009-4581 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-4581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4581?
Check Price and Availability of V009-4581, 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 V009-4581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4581
  • 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 V009-4581 available by request