V014-2118 Screening compound: 1-{4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-1-one

V014-2118 Screening compound: 1-{4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-1-one
V014-2118 Screening compound: 1-{4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-2118
1-{4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-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

V014-2118

Molecular Formula

C23H23Cl2N3O2 (C23 H23 Cl2 N3 O2)

Compound Name

1-{4-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-1-one

IUPAC name

1-{4-[3-(26-dichlorophenyl)-124-oxadiazol-5-yl]piperidin-1-yl}-2-phenylbutan-1-one

SMILES

CCC(C(N(CC1)CCC1c1nc(-c(c(Cl)ccc2)c2Cl)no1)=O)c1ccccc1

InChI

InChI=1S/C23H23Cl2N3O2/c1-2-17(15-7-4-3-5-8-15)23(29)28-13-11-16(12-14-28)22-26-21(27-30-22)20-18(24)9-6-10-19(20)25/h3-10,16-17H,2,11-14H2,1H3/t17-/m1/s1

InChI Key

GLAOVGGVTUYTSV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD19958749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-6.28

Polar Surface Area

48.292

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

V014-2118 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-2118?
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What is the minimum amount of V014-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-2118
  • 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 V014-2118 available by request