V028-6736 Screening compound: N-(2,6-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

V028-6736 Screening compound: N-(2,6-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
V028-6736 Screening compound: N-(2,6-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6736
N-(2,6-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

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

V028-6736

Molecular Formula

C20H18Cl2N4O2 (C20 H18 Cl2 N4 O2)

Compound Name

N-(2,6-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

IUPAC name

N-(26-dichlorophenyl)-2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]pyrrolidine-1-carboxamide

SMILES

Cc(cc1)ccc1-c1noc(C(CCC2)N2C(Nc(c(Cl)ccc2)c2Cl)=O)n1

InChI

InChI=1S/C20H18Cl2N4O2/c1-12-7-9-13(10-8-12)18-24-19(28-25-18)16-6-3-11-26(16)20(27)23-17-14(21)4-2-5-15(17)22/h2,4-5,7-10,16H,3,6,11H2,1H3,(H,23,27)/t16-/m0/s1

InChI Key

DCGFHNFZFYVOJW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19724971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-6.05

Polar Surface Area

55.778

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V028-6736 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 V028-6736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6736?
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What is the minimum amount of V028-6736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6736
  • 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 V028-6736 available by request