G409-0329 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea

G409-0329 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea
G409-0329 Screening compound: 1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G409-0329
1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}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

G409-0329

Molecular Formula

C15H14ClFN6O2 (C15 H14 ClFN6 O2)

Compound Name

1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}urea

IUPAC name

1-(3-chloro-4-fluorophenyl)-3-{5-ethyl-7-hydroxy-2-methyl-[124]triazolo[15-a]pyrimidin-6-yl}urea

SMILES

CCc1nc2nc(C)nn2c(O)c1NC(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C15H14ClFN6O2/c1-3-11-12(13(24)23-14(20-11)18-7(2)22-23)21-15(25)19-8-4-5-10(17)9(16)6-8/h4-6,24H,3H2,1-2H3,(H2,19,21,25)

InChI Key

PMXRCKWPYYODPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.195

Distribution Coefficient, logD

0.758

Water Solubility, LogSw

-3.11

Polar Surface Area

78.017

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G409-0329 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 G409-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G409-0329?
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What is the minimum amount of G409-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G409-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G409-0329
  • 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 G409-0329 available by request