V004-0487 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate

V004-0487 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate
V004-0487 Screening compound: 3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-0487
3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate

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

V004-0487

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

3-{4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate

IUPAC name

3-{4-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}-2-methylphenyl acetate

SMILES

CC(Oc1cccc(C(N(CC2)CCC2c2nc(-c(cc3)ccc3Cl)no2)=O)c1C)=O

InChI

InChI=1S/C23H22ClN3O4/c1-14-19(4-3-5-20(14)30-15(2)28)23(29)27-12-10-17(11-13-27)22-25-21(26-31-22)16-6-8-18(24)9-7-16/h3-9,17H,10-13H2,1-2H3

InChI Key

GEACHYYYPTVOBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.801

Distribution Coefficient, logD

4.801

Water Solubility, LogSw

-4.99

Polar Surface Area

69.130

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

V004-0487 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 V004-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-0487?
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What is the minimum amount of V004-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-0487
  • 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 V004-0487 available by request