V027-6006 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide

V027-6006 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
V027-6006 Screening compound: N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-6006
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide

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

V027-6006

Molecular Formula

C27H25ClN4O6 (C27 H25 ClN4 O6)

Compound Name

N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide

IUPAC name

N-{2-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]ethyl}-N-[2-(34-dimethoxyphenyl)ethyl]-3-nitrobenzamide

SMILES

COc(ccc(CCN(CCc1nc(-c(cc2)ccc2Cl)no1)C(c1cc([N+]([O-])=O)ccc1)=O)c1)c1OC

InChI

InChI=1S/C27H25ClN4O6/c1-36-23-11-6-18(16-24(23)37-2)12-14-31(27(33)20-4-3-5-22(17-20)32(34)35)15-13-25-29-26(30-38-25)19-7-9-21(28)10-8-19/h3-11,16-17H,12-15H2,1-2H3

InChI Key

VUXLKLWIVLDEBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19782005

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

536.97

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.013

Distribution Coefficient, logD

5.013

Water Solubility, LogSw

-5.34

Polar Surface Area

96.120

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V027-6006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-6006?
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What is the minimum amount of V027-6006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-6006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-6006
  • 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 V027-6006 available by request