V008-0583 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide

V008-0583 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide
V008-0583 Screening compound: N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0583
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide

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

V008-0583

Molecular Formula

C33H30N4O4 (C33 H30 N4 O4)

Compound Name

N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide

IUPAC name

N-{4-[5-(2H-13-benzodioxol-5-yl)-3-(2-methylpropoxy)-1H-124-triazol-1-yl]phenyl}-22-diphenylacetamide

SMILES

CC(C)COc(nc1-c(cc2)cc3c2OCO3)nn1-c(cc1)ccc1NC(C(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C33H30N4O4/c1-22(2)20-39-33-35-31(25-13-18-28-29(19-25)41-21-40-28)37(36-33)27-16-14-26(15-17-27)34-32(38)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-19,22,30H,20-21H2,1-2H3,(H,34,38)

InChI Key

TUTBMJMEQLAMGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19762435

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

546.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.511

Distribution Coefficient, logD

7.511

Water Solubility, LogSw

-5.73

Polar Surface Area

71.124

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V008-0583 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V008-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0583?
Check Price and Availability of V008-0583, 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 V008-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0583
  • 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 V008-0583 available by request