V003-2696 Screening compound: methyl 3-methoxy-4-[({5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate

V003-2696 Screening compound: methyl 3-methoxy-4-[({5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate
V003-2696 Screening compound: methyl 3-methoxy-4-[({5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2696
methyl 3-methoxy-4-[({5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)methyl]benzoate

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

V003-2696

Molecular Formula

C28H35N3O6S2 (C28 H35 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(ccc(C(OC)=O)c1)c1OC)n2)(=O)=O

InChI

InChI=1S/C28H35N3O6S2/c1-19-6-4-12-30(16-19)39(33,34)23-10-11-25-24(15-23)29-28(31(25)17-22-7-5-13-37-22)38-18-21-9-8-20(27(32)36-3)14-26(21)35-2/h8-11,14-15,19,22H,4-7,12-13,16-18H2,1-3H3

InChI Key

WMHQVBIYIOUZSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19960349

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

573.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.193

Water Solubility, LogSw

-5.07

Polar Surface Area

79.580

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

V003-2696 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 V003-2696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2696?
Check Price and Availability of V003-2696, 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 V003-2696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2696
  • 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 V003-2696 available by request