SC45-0711 Screening compound: 3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]methyl}benzamide

SC45-0711 Screening compound: 3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]methyl}benzamide
SC45-0711 Screening compound: 3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0711
3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]methyl}benzamide

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

SC45-0711

Molecular Formula

C17H20FN5O2 (C17 H20 FN5 O2)

Compound Name

3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]methyl}benzamide

IUPAC name

3-fluoro-4-methyl-N-{[6-oxo-7-(propan-2-yl)-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl]methyl}benzamide

SMILES

CC(C)C1n2nnc(CNC(c3cc(F)c(C)cc3)=O)c2CNC1=O

InChI

InChI=1S/C17H20FN5O2/c1-9(2)15-17(25)20-8-14-13(21-22-23(14)15)7-19-16(24)11-5-4-10(3)12(18)6-11/h4-6,9,15H,7-8H2,1-3H3,(H,19,24)(H,20,25)/t15-/m0/s1

InChI Key

PUZWHWLRHZSRQS-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.602

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-2.12

Polar Surface Area

76.417

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with SC45-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0711?
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What is the minimum amount of SC45-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0711
  • 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 SC45-0711 available by request