V029-3998 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

V029-3998 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
V029-3998 Screening compound: N-[(furan-2-yl)methyl]-4-methoxy-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-3998
N-[(furan-2-yl)methyl]-4-methoxy-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}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

V029-3998

Molecular Formula

C23H20N4O6 (C23 H20 N4 O6)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-4-methoxy-N-{2-[3-(3-nitrophenyl)-124-oxadiazol-5-yl]ethyl}benzamide

SMILES

COc(cc1)ccc1C(N(CCc1nc(-c2cccc([N+]([O-])=O)c2)no1)Cc1ccco1)=O

InChI

InChI=1S/C23H20N4O6/c1-31-19-9-7-16(8-10-19)23(28)26(15-20-6-3-13-32-20)12-11-21-24-22(25-33-21)17-4-2-5-18(14-17)27(29)30/h2-10,13-14H,11-12,15H2,1H3

InChI Key

YQXBJKGUNKQOJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783264

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.279

Distribution Coefficient, logD

4.279

Water Solubility, LogSw

-4.40

Polar Surface Area

96.173

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V029-3998 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-3998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-3998?
Check Price and Availability of V029-3998, 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 V029-3998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-3998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-3998
  • 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 V029-3998 available by request