V005-2888 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

V005-2888 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
V005-2888 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2888
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-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

V005-2888

Molecular Formula

C27H25N5O8 (C27 H25 N5 O8)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-124-oxadiazol-5-yl]ethyl}benzamide

SMILES

COc(ccc(CCN(CCc1nc(-c2cccc([N+]([O-])=O)c2)no1)C(c1cc([N+]([O-])=O)ccc1)=O)c1)c1OC

InChI

InChI=1S/C27H25N5O8/c1-38-23-10-9-18(15-24(23)39-2)11-13-30(27(33)20-6-4-8-22(17-20)32(36)37)14-12-25-28-26(29-40-25)19-5-3-7-21(16-19)31(34)35/h3-10,15-17H,11-14H2,1-2H3

InChI Key

FDASJGRZBFXOHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.52

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.46

Polar Surface Area

129.502

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V005-2888 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 V005-2888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2888?
Check Price and Availability of V005-2888, 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 V005-2888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2888
  • 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 V005-2888 available by request