V008-8915 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

V008-8915 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
V008-8915 Screening compound: N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8915
N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

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

V008-8915

Molecular Formula

C27H26N4O6 (C27 H26 N4 O6)

Compound Name

N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[3-(2-ethoxyethoxy)-5-(3-methoxyphenyl)-1H-124-triazol-1-yl]phenyl}-2H-13-benzodioxole-5-carboxamide

SMILES

CCOCCOc(nc1-c2cc(OC)ccc2)nn1-c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C27H26N4O6/c1-3-34-13-14-35-27-29-25(18-5-4-6-22(15-18)33-2)31(30-27)21-10-8-20(9-11-21)28-26(32)19-7-12-23-24(16-19)37-17-36-23/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,28,32)

InChI Key

FNLJLUHTEYYDGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793658

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.62

Polar Surface Area

86.836

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V008-8915 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V008-8915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8915?
Check Price and Availability of V008-8915, 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 V008-8915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8915
  • 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 V008-8915 available by request