V030-9866 Screening compound: 2-(2,5-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one

V030-9866 Screening compound: 2-(2,5-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one
V030-9866 Screening compound: 2-(2,5-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9866
2-(2,5-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one

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

V030-9866

Molecular Formula

C23H26FN3O (C23 H26 FN3 O)

Compound Name

2-(2,5-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one

IUPAC name

2-(25-dimethylphenyl)-1-[4-(6-fluoro-2-methyl-1H-13-benzodiazol-1-yl)piperidin-1-yl]ethan-1-one

SMILES

Cc1nc(ccc(F)c2)c2n1C(CC1)CCN1C(Cc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C23H26FN3O/c1-15-4-5-16(2)18(12-15)13-23(28)26-10-8-20(9-11-26)27-17(3)25-21-7-6-19(24)14-22(21)27/h4-7,12,14,20H,8-11,13H2,1-3H3

InChI Key

BSRRVQSGJHCCNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.67

Polar Surface Area

27.449

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

V030-9866 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V030-9866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9866?
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What is the minimum amount of V030-9866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9866
  • 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 V030-9866 available by request