V018-1779 Screening compound: (2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide

V018-1779 Screening compound: (2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide
V018-1779 Screening compound: (2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1779
(2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-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

V018-1779

Molecular Formula

C27H25N5O5 (C27 H25 N5 O5)

Compound Name

(2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-N-{4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1H-124-triazol-1-yl]phenyl}-3-(4-nitrophenyl)prop-2-enamide

SMILES

Cc(cccc1)c1-c1nc(OCCOC)nn1-c(cc1)ccc1NC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C27H25N5O5/c1-19-5-3-4-6-24(19)26-29-27(37-18-17-36-2)30-31(26)22-14-10-21(11-15-22)28-25(33)16-9-20-7-12-23(13-8-20)32(34)35/h3-16H,17-18H2,1-2H3,(H,28,33)

InChI Key

ZMICQMOYTABGGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14245468

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

499.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.63

Polar Surface Area

95.710

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

V018-1779 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V018-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1779?
Check Price and Availability of V018-1779, 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 V018-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1779
  • 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 V018-1779 available by request