G409-0347 Screening compound: 3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-(3-fluoro-4-methylphenyl)urea

G409-0347 Screening compound: 3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-(3-fluoro-4-methylphenyl)urea
G409-0347 Screening compound: 3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-(3-fluoro-4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G409-0347
3-{5-ethyl-7-hydroxy-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-1-(3-fluoro-4-methylphenyl)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

G409-0347

Molecular Formula

C16H17FN6O2 (C16 H17 FN6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc2nc(C)nn2c(O)c1NC(Nc1cc(F)c(C)cc1)=O

InChI

InChI=1S/C16H17FN6O2/c1-4-12-13(14(24)23-15(20-12)18-9(3)22-23)21-16(25)19-10-6-5-8(2)11(17)7-10/h5-7,24H,4H2,1-3H3,(H2,19,21,25)

InChI Key

FEXZKHZBPOMPCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.35

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

2.115

Distribution Coefficient, logD

0.678

Water Solubility, LogSw

-2.73

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

25.00

G409-0347 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G409-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G409-0347?
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What is the minimum amount of G409-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G409-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G409-0347
  • 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 G409-0347 available by request