V002-4953 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methylphenyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide

V002-4953 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methylphenyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide
V002-4953 Screening compound: N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methylphenyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4953
N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methylphenyl)-5-phenethyl-1H-1,2,4-triazole-3-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

V002-4953

Molecular Formula

C25H31N5O (C25 H31 N5 O)

Compound Name

N~3~-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methylphenyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide

IUPAC name

n/a

SMILES

CCN1C(CNC(c(nc2CCc3ccccc3)nn2-c2c(C)cccc2)=O)CCC1

InChI

InChI=1S/C25H31N5O/c1-3-29-17-9-13-21(29)18-26-25(31)24-27-23(16-15-20-11-5-4-6-12-20)30(28-24)22-14-8-7-10-19(22)2/h4-8,10-12,14,21H,3,9,13,15-18H2,1-2H3,(H,26,31)/t21-/m1/s1

InChI Key

VFTUZIQWQZCSJC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19971114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

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

4.155

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-4.12

Polar Surface Area

52.885

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

8.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V002-4953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4953?
Check Price and Availability of V002-4953, 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 V002-4953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4953
  • 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 V002-4953 available by request