V029-1598 Screening compound: 4-methyl-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide

V029-1598 Screening compound: 4-methyl-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide
V029-1598 Screening compound: 4-methyl-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1598
4-methyl-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}benzamide

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

V029-1598

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)C(c1nc(-c2cccc([N+]([O-])=O)c2)no1)NC(c1ccc(C)cc1)=O

InChI

InChI=1S/C21H22N4O4/c1-4-14(3)18(22-20(26)15-10-8-13(2)9-11-15)21-23-19(24-29-21)16-6-5-7-17(12-16)25(27)28/h5-12,14,18H,4H2,1-3H3,(H,22,26)

InChI Key

PBLHRQJQAMRNJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19780113

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.36

Polar Surface Area

89.063

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V029-1598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1598?
Check Price and Availability of V029-1598, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-1598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1598
  • 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 V029-1598 available by request