V002-1823 Screening compound: 1-(3-methylphenyl)-N~3~-(3-morpholinopropyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide

V002-1823 Screening compound: 1-(3-methylphenyl)-N~3~-(3-morpholinopropyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide
V002-1823 Screening compound: 1-(3-methylphenyl)-N~3~-(3-morpholinopropyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1823
1-(3-methylphenyl)-N~3~-(3-morpholinopropyl)-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

V002-1823

Molecular Formula

C25H31N5O2 (C25 H31 N5 O2)

Compound Name

1-(3-methylphenyl)-N~3~-(3-morpholinopropyl)-5-phenethyl-1H-1,2,4-triazole-3-carboxamide

IUPAC name

n/a

SMILES

Cc1cccc(-n2nc(C(NCCCN3CCOCC3)=O)nc2CCc2ccccc2)c1

InChI

InChI=1S/C25H31N5O2/c1-20-7-5-10-22(19-20)30-23(12-11-21-8-3-2-4-9-21)27-24(28-30)25(31)26-13-6-14-29-15-17-32-18-16-29/h2-5,7-10,19H,6,11-18H2,1H3,(H,26,31)

InChI Key

YJBPXDUBYCWDMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.67

Polar Surface Area

61.011

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V002-1823 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V002-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1823?
Check Price and Availability of V002-1823, 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 V002-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1823
  • 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 V002-1823 available by request