V007-4114 Screening compound: 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

V007-4114 Screening compound: 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole
V007-4114 Screening compound: 2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4114
2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-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

V007-4114

Molecular Formula

C27H35N3O4S2 (C27 H35 N3 O4 S2)

Compound Name

2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazole

IUPAC name

2-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-13-benzodiazole

SMILES

CCOc1ccc(CSc2nc(cc(cc3)S(N4CC(C)CCC4)(=O)=O)c3n2CC2OCCC2)cc1

InChI

InChI=1S/C27H35N3O4S2/c1-3-33-22-10-8-21(9-11-22)19-35-27-28-25-16-24(36(31,32)29-14-4-6-20(2)17-29)12-13-26(25)30(27)18-23-7-5-15-34-23/h8-13,16,20,23H,3-7,14-15,17-19H2,1-2H3

InChI Key

UYZOMICAJVQLEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960117

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.72

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.006

Distribution Coefficient, logD

5.006

Water Solubility, LogSw

-4.57

Polar Surface Area

57.900

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V007-4114 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 V007-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4114?
Check Price and Availability of V007-4114, 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 V007-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4114
  • 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 V007-4114 available by request