Y041-6939 Screening compound: 4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

Y041-6939 Screening compound: 4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
Y041-6939 Screening compound: 4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6939
4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

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

Y041-6939

Molecular Formula

C19H20F3N5O (C19 H20 F3 N5 O)

Compound Name

4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

IUPAC name

4-(1-methyl-1H-indol-3-yl)-1-[3-(trifluoromethyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-7-yl]butan-1-one

SMILES

Cn1c(cccc2)c2c(CCCC(N2Cc3nnc(C(F)(F)F)n3CC2)=O)c1

InChI

InChI=1S/C19H20F3N5O/c1-25-11-13(14-6-2-3-7-15(14)25)5-4-8-17(28)26-9-10-27-16(12-26)23-24-18(27)19(20,21)22/h2-3,6-7,11H,4-5,8-10,12H2,1H3

InChI Key

CMEZDGGCBUKGOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22583951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-2.34

Polar Surface Area

43.625

Acid Dissociation Constant (pKa)

20.17

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y041-6939 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-6939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6939?
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What is the minimum amount of Y041-6939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6939
  • 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 Y041-6939 available by request