V009-5872 Screening compound: 2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

V009-5872 Screening compound: 2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole
V009-5872 Screening compound: 2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5872
2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

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

V009-5872

Molecular Formula

C27H37N3O5S2 (C27 H37 N3 O5 S2)

Compound Name

2-{[(3,5-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-1,3-benzodiazole

IUPAC name

2-{[(35-dimethoxyphenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-[(3-methylpiperidin-1-yl)sulfonyl]-1H-13-benzodiazole

SMILES

CCOCCCn1c(SCc2cc(OC)cc(OC)c2)nc2c1ccc(S(N1CC(C)CCC1)(=O)=O)c2

InChI

InChI=1S/C27H37N3O5S2/c1-5-35-13-7-12-30-26-10-9-24(37(31,32)29-11-6-8-20(2)18-29)17-25(26)28-27(30)36-19-21-14-22(33-3)16-23(15-21)34-4/h9-10,14-17,20H,5-8,11-13,18-19H2,1-4H3/t20-/m0/s1

InChI Key

TZZMGPJSOQIIRU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19958558

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

5.404

Water Solubility, LogSw

-5.35

Polar Surface Area

65.437

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

V009-5872 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V009-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5872?
Check Price and Availability of V009-5872, 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 V009-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5872
  • 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 V009-5872 available by request