V029-4408 Screening compound: N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide

V029-4408 Screening compound: N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide
V029-4408 Screening compound: N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-4408
N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-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

V029-4408

Molecular Formula

C23H26N4O7 (C23 H26 N4 O7)

Compound Name

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

IUPAC name

N-{2-methyl-1-[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]butyl}-3-nitrobenzamide

SMILES

CCC(C)C(c1nc(-c(cc2OC)cc(OC)c2OC)no1)NC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C23H26N4O7/c1-6-13(2)19(24-22(28)14-8-7-9-16(10-14)27(29)30)23-25-21(26-34-23)15-11-17(31-3)20(33-5)18(12-15)32-4/h7-13,19H,6H2,1-5H3,(H,24,28)

InChI Key

WBEAODRTSPOHHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19774876

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.594

Distribution Coefficient, logD

4.594

Water Solubility, LogSw

-4.40

Polar Surface Area

112.041

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

V029-4408 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V029-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-4408?
Check Price and Availability of V029-4408, 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 V029-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-4408
  • 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 V029-4408 available by request