V029-4396 Screening compound: 2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide

V029-4396 Screening compound: 2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide
V029-4396 Screening compound: 2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4396
2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide

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

V029-4396

Molecular Formula

C21H21ClN4O5 (C21 H21 ClN4 O5)

Compound Name

2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}acetamide

IUPAC name

2-(4-chlorophenoxy)-N-{2-methyl-1-[3-(4-nitrophenyl)-124-oxadiazol-5-yl]butyl}acetamide

SMILES

CCC(C)C(c1nc(-c(cc2)ccc2[N+]([O-])=O)no1)NC(COc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H21ClN4O5/c1-3-13(2)19(23-18(27)12-30-17-10-6-15(22)7-11-17)21-24-20(25-31-21)14-4-8-16(9-5-14)26(28)29/h4-11,13,19H,3,12H2,1-2H3,(H,23,27)

InChI Key

IMJUSCLTZCLUGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19777961

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

444.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-6.03

Polar Surface Area

96.348

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

V029-4396 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 V029-4396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4396?
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What is the minimum amount of V029-4396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4396
  • 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 V029-4396 available by request