V029-3452 Screening compound: (2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide

V029-3452 Screening compound: (2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide
V029-3452 Screening compound: (2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3452
(2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide

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

V029-3452

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

(2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(butan-2-yl)-N-{2-[3-(3-nitrophenyl)-124-oxadiazol-5-yl]ethyl}-3-phenylprop-2-enamide

SMILES

CCC(C)N(CCc1nc(-c2cccc([N+]([O-])=O)c2)no1)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C23H24N4O4/c1-3-17(2)26(22(28)13-12-18-8-5-4-6-9-18)15-14-21-24-23(25-31-21)19-10-7-11-20(16-19)27(29)30/h4-13,16-17H,3,14-15H2,1-2H3/t17-/m0/s1

InChI Key

IHAXWYZDSDMXQM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19779894

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.552

Distribution Coefficient, logD

5.552

Water Solubility, LogSw

-5.45

Polar Surface Area

79.953

Acid Dissociation Constant (pKa)

27.08

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V029-3452 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V029-3452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3452?
Check Price and Availability of V029-3452, 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 V029-3452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3452
  • 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 V029-3452 available by request