V008-0638 Screening compound: N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide

V008-0638 Screening compound: N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide
V008-0638 Screening compound: N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0638
N-{4-[3-ethoxy-5-(2-methylphenyl)-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

V008-0638

Molecular Formula

C31H28N4O2 (C31 H28 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(nc1-c2c(C)cccc2)nn1-c(cc1)ccc1NC(C(c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C31H28N4O2/c1-3-37-31-33-29(27-17-11-10-12-22(27)2)35(34-31)26-20-18-25(19-21-26)32-30(36)28(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-21,28H,3H2,1-2H3,(H,32,36)

InChI Key

AJLZQSOYHYIFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19763098

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.801

Distribution Coefficient, logD

6.801

Water Solubility, LogSw

-5.81

Polar Surface Area

53.633

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V008-0638 in Drug Discovery

Included in Screening Libraries

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 V008-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0638?
Check Price and Availability of V008-0638, 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 V008-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0638
  • 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 V008-0638 available by request