G719-1216 Screening compound: 1-(2-ethylphenyl)-3-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea

G719-1216 Screening compound: 1-(2-ethylphenyl)-3-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea
G719-1216 Screening compound: 1-(2-ethylphenyl)-3-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G719-1216
1-(2-ethylphenyl)-3-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)urea

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

G719-1216

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(NCCc1n[nH]c(Cc2ccc(C)cc2)n1)=O

InChI

InChI=1S/C21H25N5O/c1-3-17-6-4-5-7-18(17)23-21(27)22-13-12-19-24-20(26-25-19)14-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H2,22,23,27)(H,24,25,26)

InChI Key

WHWUIDBNGSRLFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030058

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.04

Polar Surface Area

68.773

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G719-1216 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 G719-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G719-1216?
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What is the minimum amount of G719-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G719-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G719-1216
  • 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 G719-1216 available by request