V029-3680 Screening compound: N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

V029-3680 Screening compound: N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide
V029-3680 Screening compound: N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3680
N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

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

V029-3680

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

IUPAC name

N-cyclohexyl-N-{2-[3-(4-nitrophenyl)-124-oxadiazol-5-yl]ethyl}cyclobutanecarboxamide

SMILES

[O-][N+](c(cc1)ccc1-c1noc(CCN(C2CCCCC2)C(C2CCC2)=O)n1)=O

InChI

InChI=1S/C21H26N4O4/c26-21(16-5-4-6-16)24(17-7-2-1-3-8-17)14-13-19-22-20(23-29-19)15-9-11-18(12-10-15)25(27)28/h9-12,16-17H,1-8,13-14H2

InChI Key

LZOVZJKSBAOSNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781341

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.57

Polar Surface Area

80.649

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

V029-3680 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 V029-3680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3680?
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What is the minimum amount of V029-3680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3680
  • 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 V029-3680 available by request