V002-7209 Screening compound: 5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-2-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

V002-7209 Screening compound: 5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-2-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
V002-7209 Screening compound: 5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-2-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-7209
5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-2-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-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

V002-7209

Molecular Formula

C25H28F3N3O3S2 (C25 H28 F3 N3 O3 S2)

Compound Name

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

IUPAC name

5-[(3-methylpiperidin-1-yl)sulfonyl]-1-[(oxolan-2-yl)methyl]-2-{[(245-trifluorophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

CC(CCC1)CN1S(c(cc1)cc2c1n(CC1OCCC1)c(SCc(cc(c(F)c1)F)c1F)n2)(=O)=O

InChI

InChI=1S/C25H28F3N3O3S2/c1-16-4-2-8-30(13-16)36(32,33)19-6-7-24-23(11-19)29-25(31(24)14-18-5-3-9-34-18)35-15-17-10-21(27)22(28)12-20(17)26/h6-7,10-12,16,18H,2-5,8-9,13-15H2,1H3

InChI Key

FFXLZCKUVFRSIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19958307

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.64

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

5.468

Distribution Coefficient, logD

5.468

Water Solubility, LogSw

-5.39

Polar Surface Area

50.776

Acid Dissociation Constant (pKa)

23.78

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with V002-7209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-7209?
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What is the minimum amount of V002-7209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-7209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-7209
  • 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 V002-7209 available by request