G719-1241 Screening compound: N-{2-[5-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOL-3-YL]ETHYL}-N'-PHENETHYLUREA

G719-1241 Screening compound: N-{2-[5-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOL-3-YL]ETHYL}-N'-PHENETHYLUREA
G719-1241 Screening compound: N-{2-[5-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOL-3-YL]ETHYL}-N'-PHENETHYLUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound G719-1241
N-{2-[5-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOL-3-YL]ETHYL}-N'-PHENETHYLUREA

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

G719-1241

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

N-{2-[5-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOL-3-YL]ETHYL}-N'-PHENETHYLUREA

IUPAC name

3-(2-{5-[(4-methylphenyl)methyl]-1H-124-triazol-3-yl}ethyl)-1-(2-phenylethyl)urea

SMILES

Cc1ccc(Cc2nc(CCNC(NCCc3ccccc3)=O)n[nH]2)cc1

InChI

InChI=1S/C21H25N5O/c1-16-7-9-18(10-8-16)15-20-24-19(25-26-20)12-14-23-21(27)22-13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H2,22,23,27)(H,24,25,26)

InChI Key

RFZFWTCRNUBYBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.997

Water Solubility, LogSw

-3.26

Polar Surface Area

70.635

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

G719-1241 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G719-1241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G719-1241?
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What is the minimum amount of G719-1241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G719-1241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G719-1241
  • 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 G719-1241 available by request